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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 4/20 | 0.34 |
| ▸ | ESR2 known ✓ | Q92731 | 4/20 | 0.34 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.31 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.31 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.31 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.31 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HBB | P68871 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3323494 | 0.97 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2TAAR1 | |
| Hydrochloric Acid SCHEMBL8106508 | 0.97 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| SCHEMBL104024 | 0.95 | TDP1 (0.45) | TDP1CYP3A4ESR1ESR2TAAR1 | |
| SCHEMBL9803953 | 0.92 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2TAAR1 | |
| SCHEMBL1534405 | 0.92 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2TAAR1 | |
| SCHEMBL9764627 | 0.92 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2TAAR1 | |
| SCHEMBL10605346 | 0.92 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2TAAR1 | |
| SCHEMBL9764212 | 0.92 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2TAAR1 | |
| Hydrochloric Acid SCHEMBL2037899 | 0.90 | TDP1 (0.41) | TDP1CYP3A4ESR1ESR2TAAR1 | |
| Hydrochloric Acid SCHEMBL1258765 | 0.90 | TDP1 (0.41) | TDP1CYP3A4ESR1ESR2TAAR1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7507830-B2 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | PHARMACORE, INC. (US) | 2009-03-24 | — | — | US | disclosed |
| EP-1070713-B1 | QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF | TOYAMA CHEMICAL CO LTD (JP) | 2006-10-18 | — | — | EP | disclosed |
| US-6962999-B2 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | PHARMACORE, INC. (US) | 2005-11-08 | — | — | US | disclosed |
| US-20050124808-A1 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | DSM I.P. ASSETS B.V. (NL) | 2005-06-09 | — | — | US | disclosed |
| US-20030100760-A1 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | DSM N.V. (NL) | 2003-05-29 | — | — | US | disclosed |
| EP-1279656-A2 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | DSM N.V. (NL) | 2003-01-29 | — | — | EP | disclosed |
| US-6335447-B1 | BACTERICIDES | TOYAMA CHEMICAL CO., LTD. (JP) | 2002-01-01 | — | — | US | disclosed |
| US-6194599-B1 | Process for preparing biaryl compounds | CATALYTICA, INC. | 2001-02-27 | — | — | US | disclosed |
| EP-1070713-A1 | QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2001-01-24 | — | — | EP | disclosed |
| US-5922898-A | Process for preparing biaryl compounds | CATALYTICA PHARMACEUTICALS, INC. (US) | 1999-07-13 | — | — | US | disclosed |
| US-5559109-A | Method of treating a PAF-mediated pathology or for treating or preventing psoriasis, nephritis, asthma or shock by administering a PAF antagonist | SANKKO COMPANY, LIMITED (JP) | 1996-09-24 | — | — | US | disclosed |
| US-5556852-A | PLATELET ACTIVATING FACTOR ANTAGONISTS | SANKYO COMPANY, LIMITED (JP) | 1996-09-17 | — | — | US | disclosed |
| EP-0395446-B1 | N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists | SANKYO CO (JP) | 1995-03-01 | — | — | EP | disclosed |
| US-5369106-A | N-acryloylpiperazine derivatives, their preparation and their use of PAF antagonists | SANKYO COMPANY, LIMITED (JP) | 1994-11-29 | — | — | US | disclosed |
| US-5234946-A | Anticholesterol, antilipemic | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1993-08-10 | — | — | US | disclosed |
| US-5192766-A | Platelet activating factor antagonist | SANKYO COMPANY, LIMITED (JP) | 1993-03-09 | — | — | US | disclosed |
| US-5102971-A | Polyphenyl resin | BAYER AKTIENGESELLSCHAFT (DE) | 1992-04-07 | — | — | US | disclosed |
| EP-0395768-A1 | SUBSTITUTED ALLYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1990-11-07 | — | — | EP | disclosed |
| EP-0321175-A1 | Indane derivatives | BEECHAM GROUP PLC (GB) | 1989-06-21 | — | — | 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-20030100760-A1 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | AHR, PAH, DDT | ESR1 2357/4885ESR2 3287/4885SLC6A2 3018/4885 |
| US-20050124808-A1 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | AHR, PAH, DDT | ESR1 2357/4885ESR2 3287/4885SLC6A2 3018/4885 |
“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.