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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 known ✓ | Q16539 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 3/20 | 0.44 |
| ▸ | F10 | P00742 | 2/20 | 0.44 |
| ▸ | F9 | P00740 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 2/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | KLK1 | P06870 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9183339 | 0.98 | F10 (0.45) | F2F10F9KDM1AMRGPRX4 | |
| SCHEMBL9706496 | 0.84 | PARP1 (0.52) | KDM1AMRGPRX4NPC1HTTMAPT | |
| SCHEMBL9650260 | 0.80 | FOLH1 (0.56) | MRGPRX4NPC1MAPTCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL23541018 | 0.80 | HTT (0.57) | F2F10F9LTA4HMAPK14 | |
| SCHEMBL758009 | 0.78 | HTT (0.59) | F2F10F9LTA4HMAPK14 | |
| SCHEMBL9341896 | 0.78 | MAPT (0.63) | MRGPRX4NPC1MAPTCYP2C9CYP2C19 | |
| SCHEMBL9706350 | 0.78 | L3MBTL1 (0.49) | KDM1AMRGPRX4NPC1MAPTCYP2C9 | |
| Hydrochloric Acid SCHEMBL7088661 | 0.75 | F2 (0.59) | F2F10KLK1 | |
| Hydrochloric Acid SCHEMBL1485404 | 0.75 | PARP15 (0.54) | F2F10 | |
| SCHEMBL4152542 | 0.75 | KDM1A (0.51) | F2F10F9KDM1ANPC1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0482024-B1 | CHIRAL OR ACHIRAL RING COMPOUNDS | MERCK PATENT GMBH (DE) | 1995-05-24 | — | — | EP | disclosed |
| EP-0373191-B1 | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES | MERCK PATENT GMBH (DE) | 1994-07-13 | — | — | EP | disclosed |
| US-5232624-A | Components of tilted smectic liquid-crystalline phases | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-08-03 | — | — | US | disclosed |
| EP-0332025-B1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENES | MERCK PATENT GmbH (DE) | 1993-06-23 | — | — | EP | disclosed |
| US-5209866-A | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-05-11 | — | — | US | disclosed |
| EP-0482024-A1 | CHIRAL OR ACHIRAL RING COMPOUNDS. | MERCK PATENT GMBH (DE) | 1992-04-29 | — | — | EP | disclosed |
| WO-1991000897-A1 | CHIRAL OR ACHIRAL RING COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-01-24 | — | — | WO | disclosed |
| EP-0373191-A1 | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1990-06-20 | — | — | EP | disclosed |
| EP-0357739-A1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE | MERCK PATENT GmbH (DE) | 1990-03-14 | — | — | EP | disclosed |
| WO-1989008649-A1 | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| WO-1989008639-A1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| EP-0332024-A1 | Heterocyclic derivatives of 1,2-difluorobenzene | MERCK PATENT GmbH (DE) | 1989-09-13 | — | — | EP | disclosed |
| EP-0332025-A1 | Chiral derivatives of 1,2-difluorobenzenes | MERCK PATENT GmbH (DE) | 1989-09-13 | — | — | EP | disclosed |