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 | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 5/20 | 0.45 |
| ▸ | HTR2A known ✓ | P28223 | 5/20 | 0.45 |
| ▸ | KCNH2 known ✓ | Q12809 | 4/20 | 0.45 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.44 |
| ▸ | HTR6 known ✓ | P50406 | 3/20 | 0.42 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.41 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.39 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.39 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5212828 | 0.98 | CYP11B1 (0.49) | CYP11B1CYP11B2HTR2CHTR2AKCNH2 | |
| SCHEMBL28243003 | 0.88 | HTR6 (0.44) | CYP11B1CYP11B2HTR2CHTR2AKCNH2 | |
| SCHEMBL20002842 | 0.88 | HTR6 (0.44) | CYP11B1CYP11B2HTR2CHTR2AKCNH2 | |
| SCHEMBL644453 | 0.85 | HTR2A (0.51) | HTR2CHTR2AKCNH2PTGS2LMNA | |
| Tert-Butyl Formate SCHEMBL28072617 | 0.84 | CYP11B1 (0.43) | CYP11B1CYP11B2HTR2CHTR2AKCNH2 | |
| Hydrochloric Acid SCHEMBL1940241 | 0.82 | MAPK1 (0.40) | HTR6LMNACYP3A4GABRA1TSHR | |
| Hydrochloric Acid SCHEMBL5271819 | 0.82 | MAPT (0.49) | HTR2CHTR2AKCNH2HTR6LMNA | |
| Hydrochloric Acid SCHEMBL4772957 | 0.82 | PTGS2 (0.41) | KCNH2PTGS2LMNACYP3A4GABRA1 | |
| Hydrochloric Acid SCHEMBL1021139 | 0.81 | HTR2A (0.50) | HTR2CHTR2AKCNH2HTR6LMNA | |
| Hydrochloric Acid SCHEMBL4775615 | 0.81 | HTR2C (0.54) | HTR2CHTR2AHTR6 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090111791-A1 | Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-30 | — | — | US | disclosed |
| EP-1996545-A1 | SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME | Boehringer Ingelheim International GmbH (DE) | 2008-12-03 | — | — | EP | disclosed |
| US-7348324-B2 | Cyclic amine compounds as CCR5 antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-03-25 | — | — | US | disclosed |
| EP-1886994-A1 | Cyclic amine compounds as CCR5 antagonists | Takeda Pharmaceutical Company Limited (JP) | 2008-02-13 | — | — | EP | disclosed |
| WO-2007106705-A1 | SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-09-20 | — | — | WO | disclosed |
| US-20030114443-A1 | Cyclic amine compounds as CCR5 antagonists | TOBIRA THERAPEUTICS, INC. | 2003-06-19 | — | — | US | disclosed |
| US-6562978-B1 | N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-05-13 | — | — | US | disclosed |
| EP-1227090-A1 | AMINE DERIVATIVES | Tadeka Chemical Industries, Ltd. (JP) | 2002-07-31 | — | — | EP | disclosed |
| EP-1212318-A1 | SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS | Boehringer Ingelheim Pharma KG (DE) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001016130-A1 | SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-03-08 | — | — | WO | disclosed |
| EP-0441349-B1 | Pyrroloazepine derivatives | SUNTORY LTD (JP) | 1996-01-03 | — | — | EP | disclosed |
| US-5416082-A | Antiserotonine agents | SUNTORY LIMITED (JP) | 1995-05-16 | — | — | US | disclosed |
| US-5391731-A | Useful therapeutics for circulatory diseases | SUNTORY LIMITED (JP) | 1995-02-21 | — | — | US | disclosed |
| US-5206239-A | Cardiovascular disorders | SUNTORY LIMITED (JP) | 1993-04-27 | — | — | US | disclosed |
| EP-0441349-A1 | Pyrroloazepine derivatives | SUNTORY LIMITED (JP) | 1991-08-14 | — | — | EP | disclosed |
| US-4735952-A | ANTI-HYPERTENSIVE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1988-04-05 | — | — | US | disclosed |
| EP-0191603-A2 | Piperidine compound | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-08-20 | — | — | EP | 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 (2 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-20030114443-A1 | Cyclic amine compounds as CCR5 antagonists | CCR5, CCR1, CCR3 | HTR2C 326/4885HTR2A 629/4885KCNH2 174/4885 |
| US-20090111791-A1 | Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same | EPHX1, EPHX2, NCEH1 | HTR2C 4387/4885HTR2A 4228/4885KCNH2 3327/4885 |
“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.