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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.57 |
| ▸ | DPP4 known ✓ | P27487 | 2/20 | 0.55 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.50 |
| ▸ | LCK known ✓ | P06239 | 1/20 | 0.50 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.50 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.50 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.58 |
| ▸ | SLC7A5 | Q01650 | 8/20 | 0.57 |
| ▸ | ALPI | P09923 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | XIAP | P98170 | 1/20 | 0.57 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.55 |
| ▸ | FAP | Q12884 | 1/20 | 0.55 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.55 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.55 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.55 |
| ▸ | NOS3 | P29474 | 2/20 | 0.54 |
| ▸ | NOS1 | P29475 | 2/20 | 0.54 |
| ▸ | NOS2 | P35228 | 2/20 | 0.54 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27695050 | 1.00 | FOLH1 (0.58) | FOLH1SLC7A5PTGS1ALPIPKM | |
| Hydrochloric Acid SCHEMBL7042048 | 1.00 | FOLH1 (0.58) | FOLH1SLC7A5PTGS1ALPIPKM | |
| SCHEMBL43812 | 0.98 | FOLH1 (0.59) | FOLH1SLC7A5PTGS1ALPIPKM | |
| SCHEMBL29557415 | 0.98 | FOLH1 (0.59) | FOLH1SLC7A5PTGS1ALPIPKM | |
| SCHEMBL29397955 | 0.98 | FOLH1 (0.59) | FOLH1SLC7A5PTGS1ALPIPKM | |
| SCHEMBL838038 | 0.98 | FOLH1 (0.59) | FOLH1SLC7A5PTGS1ALPIPKM | |
| SCHEMBL43811 | 0.98 | FOLH1 (0.59) | FOLH1SLC7A5PTGS1ALPIPKM | |
| Ammonia Solution, Strong SCHEMBL3564410 | 0.97 | FOLH1 (0.58) | FOLH1SLC7A5PTGS1ALPIPKM | |
| Ammonia Solution, Strong SCHEMBL3564412 | 0.97 | FOLH1 (0.58) | FOLH1SLC7A5PTGS1ALPIPKM | |
| Ammonia Solution, Strong SCHEMBL3564413 | 0.97 | FOLH1 (0.58) | FOLH1SLC7A5PTGS1ALPIPKM |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101061116-A | Sulfonamide compounds | JANSSEN PHARMACEUTICA NV (BE) | 2007-10-24 | — | — | CN | disclosed |
| EP-0635008-B1 | PIPERAZIDES OF SUBSTITUTED PHENYLALANINE DERIVATES AS THROMBIN INHIBITORS | PENTAPHARM AG (CH) | 2002-09-04 | — | — | EP | disclosed |
| EP-0680469-B1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | BOEHRINGER INGELHEIM PHARMA (DE) | 2000-04-26 | — | — | EP | disclosed |
| US-5807875-A | OBESITY THERAPY | DR. KARL THOMAE GMBH (DE) | 1998-09-15 | — | — | US | disclosed |
| US-5616620-A | HYPOTENSIVE AGENTS | KARL THOMAE GMBH (DE) | 1997-04-01 | — | — | US | disclosed |
| US-5607937-A | Piperazides of substituted phenylalanine derivatives as thrombin inhibitors | PENTAPHARM AG (CH) | 1997-03-04 | — | — | US | disclosed |
| US-5518735-A | ANTICOAGULANTS ADMINISTERED BY MOUTH | PENTAPHARM AG (CH) | 1996-05-21 | — | — | US | disclosed |
| EP-0680469-A1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | Dr. Karl Thomae GmbH (DE) | 1995-11-08 | — | — | EP | disclosed |
| WO-1994017035-A1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | DR. KARL THOMAE GMBH (DE) | 1994-08-04 | — | — | WO | disclosed |
| EP-0511347-A1 | META-SUBSTITUTED PHENYL ALANINE DERIVATIVES | Pentapharm A.G. (CH) | 1992-11-04 | — | — | EP | disclosed |
| WO-1992008709-A1 | META-SUBSTITUTED PHENYL ALANINE DERIVATIVES | PENTAPHARM AG (CH) | 1992-05-29 | — | — | WO | disclosed |