Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5223574 | 0.99 | MEN1 (0.70) | MEN1KMT2ATSHRMAPTCYP3A4 | |
| SCHEMBL31173505 | 0.88 | KMT2A (0.85) | MEN1KMT2AMAPTCYP3A4CYP2D6 | |
| SCHEMBL1695916 | 0.88 | KMT2A (0.85) | MEN1KMT2AMAPTCYP3A4CYP2D6 | |
| SCHEMBL4427598 | 0.84 | CNR2 (0.51) | MEN1KMT2ATSHRMAPTCYP3A4 | |
| SCHEMBL5224347 | 0.84 | CNR2 (0.51) | MEN1KMT2ATSHRMAPTCYP3A4 | |
| SCHEMBL5223607 | 0.80 | CNR2 (0.48) | MEN1KMT2ATSHRMAPTCYP3A4 | |
| SCHEMBL6386453 | 0.80 | KMT2A (0.72) | MEN1KMT2ATSHRMAPTL3MBTL1 | |
| SCHEMBL16839854 | 0.80 | KMT2A (0.72) | MEN1KMT2AMAPTALDH1A1RAB9A | |
| Hydrochloric Acid SCHEMBL2484892 | 0.80 | ALDH1A1 (0.49) | MEN1KMT2ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1824594 | 0.79 | MEN1 (0.62) | MEN1KMT2AMAPTCNR2L3MBTL1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6432953-B1 | — | — | None | — | — | US | disclosed |
| EP-0994867-B1 | POLYMORPHIC FORM OF THE TACHYKININ RECEPTOR ANTAGONIST 2-(R)-(1-(R) -(3,5-BIS(TRIFLUOROMETHYL) PHENYL)ETHOXY)-3-(S)-(4-FLUORO) PHENYL-4-(3-5 (-OXO-1H,4H-1,2,4,-TRIAZOLO) METHYLMORPHOLINE | MERCK & CO INC (US) | 2007-09-12 | — | — | EP | disclosed |
| US-6638930-B2 | Antiinflammatory agents, analgesics, antiasthmatics, antiemitics and calcium channel blockers for angina, hypertension or ischemia | MERCK & CO. INC. | 2003-10-28 | — | — | US | disclosed |
| US-6583142-B2 | 2-(R)-(1-(R)-(3,5- bis(trifluoromethyl)phenyl)ethoxy)-3-(S)-(4-fluoro)phenyl-4-(3-(5-oxo-1H,4H -1,2,4-triazolo) methyl morpholine; antagonizing effect of substance P at its receptor site, blockade of neurokinin-1 receptors | MERCK & CO. | 2003-06-24 | — | — | US | disclosed |
| CN-1106390-C | Polymorphic form of tachykinin receptor antagonist 2-(R)-(1-(R)-(3,5-bis(trifluoromethyl) phenyl) ethoxy)-3-(S)-(4-fluoro) phenyl-4-(3-5(oxo-1H,4H-1,2,4-triazolo methylmorpholine | MERCK & CO INC (US) | 2003-04-23 | — | — | CN | disclosed |
| US-20030027825-A1 | Polymorphic form of a tachykinin receptor antagonist | MERCK & CO. INC. | 2003-02-06 | — | — | US | disclosed |
| US-6432953-B2 | 2-(R)-(1-(R)-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHOXY)-3-(S)-(4 -FLUORO) PHENYL-4-(3-(5-OXO-1H,4H-1,2,4-TRIAZOLO)METHYLMORPHOLINE; TREATING NEUROPATHY, EMESIS, NERVOUS SYSTEM DISORDERS; THERMODYNAMIC STABILITY FOR DRUGS | MERCK & CO., INC. | 2002-08-13 | — | — | US | disclosed |
| US-20020002164-A1 | Morpholine and thiomorpholine tachykinin receptor antagonists | MERCK & CO., INC. | 2002-01-03 | — | — | US | disclosed |
| US-20010041702-A1 | Polymorphic form of a tachykinin receptor antagonist | MERCK & CO., INC. | 2001-11-15 | — | — | US | disclosed |
| US-6235735-B1 | AFTERTREATMENT OF RADIATION THERAPY | MERCK & CO., INC. | 2001-05-22 | — | — | US | disclosed |
| CN-1261882-A | Polymorphic form of tachykinin receptor antagonist 2-(R)-(1-(R)-(3,5-bis(trifluoromethyl) phenyl) ethoxy)-3-(S)-(4-fluoro) phenyl-4-(3-5(oxo-1H,4H-1,2,4-triazolo methylmorpholine | MERCK & CO INC (US) | 2000-08-02 | — | — | CN | disclosed |
| US-6096742-A | Polymorphic form of a tachykinin receptor antagonist | MERCK & CO., INC. (US) | 2000-08-01 | — | — | US | disclosed |
| EP-0994867-A1 | POLYMORPHIC FORM OF THE TACHYKININ RECEPTOR ANTAGONIST 2-(R)-(1-(R) -(3,5-BIS(TRIFLUOROMETHYL) PHENYL)ETHOXY)-3-(S)-(4-FLUORO) PHENYL-4-(3-5 (-OXO-1H,4H-1,2,4,-TRIAZOLO) METHYLMORPHOLINE | Merck & Co., Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| US-6048859-A | ANTIEMETIC AGENT | MERCK & CO., INC. (US) | 2000-04-11 | — | — | US | disclosed |
| US-5922706-A | TREATING INFLAMMATORY DISEASES, PAIN OR MIGRAINE, ASTHMA AND EMESIS, AND CALCIUM CHANNEL BLOCKERS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS SUCH AS ANGINA, HYPERTENSION OR ISCHEMIA | MERCK & CO., INC. (US) | 1999-07-13 | — | — | US | disclosed |
| US-5872116-A | TREATMENT OF INFLAMATION, PAIN, MIGRAINE, ASTHMA AND EMESIS | MERCK & CO., INC. (US) | 1999-02-16 | — | — | US | disclosed |
| WO-1999001444-A1 | POLYMORPHIC FORM OF THE TACHYKININ RECEPTOR ANTAGONIST 2-(R)-(1-(R) -(3,5-BIS(TRIFLUOROMETHYL) PHENYL)ETHOXY)-3-(S)-(4-FLUORO) PHENYL-4-(3-5 (-OXO-1H,4H-1,2,4,-TRIAZOLO) METHYLMORPHOLINE | MERCK & CO., INC. (US) | 1999-01-14 | — | — | WO | disclosed |
| US-5780467-A | USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES, PAIN OR MIGRAINE, ASTHMA AND EMESIS | MERCK & CO., INC. (US) | 1998-07-14 | — | — | US | disclosed |
| US-5719147-A | Morpholine and thiomorpholine tachykinin receptor antagonists | MERCK & CO., INC. (US) | 1998-02-17 | — | — | US | disclosed |
| US-5691336-A | ANTIINFLAMMATORY AGENTS; ANALGESICS; THERAPY OF ASTHMA, EMESIS | MERCK & CO., INC. (US) | 1997-11-25 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020002164-A1 | Morpholine and thiomorpholine tachykinin receptor antagonists | TRPM7, TRPM2, TRPM5 | GAA 4510/4885MEN1 391/4885KMT2A 3090/4885 |
| US-20010041702-A1 | Polymorphic form of a tachykinin receptor antagonist | OPRL1, MC3R, OPRK1 | GAA 4748/4885MEN1 600/4885KMT2A 801/4885 |
| US-20030027825-A1 | Polymorphic form of a tachykinin receptor antagonist | OPRL1, MC3R, MC5R | GAA 4746/4885MEN1 629/4885KMT2A 800/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.