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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.44 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.44 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.38 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.38 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.37 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.37 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.36 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | BCKDK | O14874 | 1/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4769753 | 0.99 | HTR2A (0.45) | HTR2AKCNH2RAB9ACTSSBCKDK | |
| SCHEMBL912462 | 0.91 | RAB9A (0.49) | HTR2AKCNH2RAB9ACTSSBCKDK | |
| SCHEMBL4792978 | 0.84 | BCKDK (0.53) | RAB9ACTSSBCKDKHTR1ASLC6A2 | |
| SCHEMBL4767198 | 0.82 | CTSS (0.53) | RAB9ACTSSBCKDKLMNAHPGD | |
| SCHEMBL2610277 | 0.76 | RAB9A (0.49) | RAB9ACTSSBCKDKSMN1; SMN2KDM4E | |
| SCHEMBL2428388 | 0.76 | MAPK1 (0.40) | RAB9ACTSSSLC6A3SMN1; SMN2KDM4E | |
| SCHEMBL25208220 | 0.75 | BCKDK (0.49) | RAB9ABCKDKIKBKBSMN1; SMN2KDM4E | |
| SCHEMBL31015992 | 0.75 | BCKDK (0.49) | RAB9ABCKDKIKBKBSMN1; SMN2KDM4E | |
| SCHEMBL693361 | 0.75 | BCKDK (0.60) | RAB9ACTSSBCKDKSMN1; SMN2KDM4E | |
| SCHEMBL912683 | 0.74 | RAB9A (0.52) | RAB9ABCKDKSMN1; SMN2KDM4EMEN1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1315492-B1 | USE OF SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF ALLERGIES | ORTHO MCNEIL PHARM INC (US) | 2008-07-30 | — | — | EP | disclosed |
| US-7265102-B2 | Substituted pyrazoles | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2007-09-04 | — | — | US | disclosed |
| EP-1309592-B9 | SUBSTITUTED PYRAZOLES | ORTHO MCNEIL PHARM INC (US) | 2007-02-28 | — | — | EP | disclosed |
| EP-1309592-B1 | SUBSTITUTED PYRAZOLES | ORTHO MCNEIL PHARM INC (US) | 2006-04-26 | — | — | EP | disclosed |
| US-20050234102-A1 | Substituted pyrazoles | CAI HUI | 2005-10-20 | — | — | US | disclosed |
| US-6951851-B2 | Substituted pyrazoles | CAI HUI | 2005-10-04 | — | — | US | disclosed |
| US-6949540-B2 | Substituted pyrazoles | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2005-09-27 | — | — | US | disclosed |
| US-6936603-B2 | Substituted pyrazoles | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2005-08-30 | — | — | US | disclosed |
| US-20040044027-A1 | Substituted pyrazoles | CAI HUI (US) | 2004-03-04 | — | — | US | disclosed |
| US-20030229075-A1 | Substituted pyrazoles | CAI HUI (US) | 2003-12-11 | — | — | US | disclosed |
| US-20030225063-A1 | Substituted pyrazoles | ORTHO MCNEIL PHARMACEUTICAL, INC. | 2003-12-04 | — | — | US | disclosed |
| US-20030225062-A1 | Substituted pyrazoles | ORTHO MCNEIL PHARMACEUTICAL, INC. | 2003-12-04 | — | — | US | disclosed |
| US-6635633-B2 | Substituted pyrazoles | ORTHO-PHARMACEUTICAL, INC. | 2003-10-21 | — | — | US | disclosed |
| US-6579896-B2 | Immunology response; autoimmune disease | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-06-17 | — | — | US | disclosed |
| EP-1315492-A2 | A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES | Ortho McNeil Pharmaceutical, Inc. (US) | 2003-06-04 | — | — | EP | disclosed |
| EP-1309592-A2 | SUBSTITUTED PYRAZOLES | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-05-14 | — | — | EP | disclosed |
| US-20020147189-A1 | Method for treating allergies using substituted pyrazoles | ORTHO MCNEIL PHARMACEUTICAL, INC. | 2002-10-10 | — | — | US | disclosed |
| US-20020040019-A1 | Substituted pyrazoles | ORTHO MCNEIL PHARMACEUTICAL, INC. | 2002-04-04 | — | — | US | disclosed |
| WO-2002020013-A2 | A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2002-03-14 | — | — | WO | disclosed |
| WO-2002014317-A2 | SUBSTITUTED PYRAZOLES | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2002-02-21 | — | — | WO | 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 (7 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-20030225062-A1 | Substituted pyrazoles | CTSS, CTSZ, CTSV | HTR2A 4480/4885KCNH2 3779/4885CHRM2 4614/4885 |
| US-20030229075-A1 | Substituted pyrazoles | CTSS, CTSZ, CTSV | HTR2A 4480/4885KCNH2 3779/4885CHRM2 4614/4885 |
| US-20020040019-A1 | Substituted pyrazoles | CTSS, CTSZ, CTSV | HTR2A 4480/4885KCNH2 3779/4885CHRM2 4614/4885 |
| US-20040044027-A1 | Substituted pyrazoles | CTSS, CTSZ, CTSV | HTR2A 4480/4885KCNH2 3779/4885CHRM2 4614/4885 |
| US-20030225063-A1 | Substituted pyrazoles | CTSS, CTSZ, CTSV | HTR2A 4480/4885KCNH2 3779/4885CHRM2 4614/4885 |
| US-20020147189-A1 | Method for treating allergies using substituted pyrazoles | TSLP, IL33, HRH2 | HTR2A 2085/4885KCNH2 1858/4885CHRM2 1773/4885 |
| US-20050234102-A1 | Substituted pyrazoles | CTSS, CTSZ, CTSV | HTR2A 4480/4885KCNH2 3779/4885CHRM2 4614/4885 |
“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.