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 | |
|---|---|---|---|---|
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL173322 | 0.97 | FFAR3 (0.41) | FFAR3ALDH1A1MEN1CYP1A2KMT2A | |
| SCHEMBL28210395 | 0.93 | FFAR3 (0.39) | FFAR3ALDH1A1MEN1CYP1A2KMT2A | |
| SCHEMBL6818431 | 0.93 | FFAR3 (0.39) | FFAR3ALDH1A1MEN1CYP1A2KMT2A | |
| Ammonia Solution, Strong SCHEMBL9700926 | 0.93 | FFAR3 (0.39) | FFAR3ALDH1A1MEN1CYP1A2KMT2A | |
| SCHEMBL27899335 | 0.93 | FFAR3 (0.39) | FFAR3ALDH1A1MEN1CYP1A2KMT2A | |
| SCHEMBL27684861 | 0.93 | FFAR3 (0.39) | FFAR3ALDH1A1MEN1CYP1A2KMT2A | |
| SCHEMBL27653904 | 0.90 | FFAR3 (0.37) | FFAR3ALDH1A1MEN1CYP1A2KMT2A | |
| Tetramethylammonium Ion SCHEMBL27703784 | 0.88 | FFAR3 (0.35) | FFAR3ALDH1A1MEN1CYP1A2KMT2A | |
| Ethylene Glycol SCHEMBL28513966 | 0.88 | CYP4F2 (0.39) | FFAR3ALDH1A1MEN1CYP1A2KMT2A | |
| Benzene SCHEMBL27373724 | 0.88 | FFAR3 (0.35) | FFAR3ALDH1A1MEN1CYP1A2KMT2A |
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-4088668-A | Acetylene derivatives | MERRELL TORAUDE ET COMPAGNIE (FR) | 1978-05-09 | — | — | US | claimed |
| US-5614557-A | ADMINISTERING (DIFLUOROMETHYL)ORNITHINE OR SALT WITH METHYLGLYOXAL BIS(GUANYLHYDRAZONE) | MARION MERRELL ET COMPAGNIE C/O MERRELL PHARMACEUTICALS INC. (US) | 1997-03-25 | — | — | US | disclosed |
| US-4560795-A | α-Halomethyl derivatives of α-amino acids | Merrell Dow France et Cie. (FR) | 1985-12-24 | — | — | US | disclosed |
| US-4496588-A | HALOMETHYL DERIVATIVES OF A-AMINO ACID | MERRELL TORAUDE ET COMPAGNIE (FR) | 1985-01-29 | — | — | US | disclosed |
| US-4438270-A | DECARBOXYLASE INHIBITORS | MERRELL TORAUDE ET COMPAGNIE (FR) | 1984-03-20 | — | — | US | disclosed |
| US-4399151-A | USING A-SUBSTITUTERD AMINES OR A-SUBSTITUTED AMINO ACIDS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1983-08-16 | — | — | US | disclosed |
| US-4388466-A | HISTIDINE DECARBOXYLASE INHIBITORS | MERRELL TORAUDE ET COMPAGNIE (FR) | 1983-06-14 | — | — | US | disclosed |
| US-4342780-A | 2-AMINO-2-FLUOROMETHYL-3-(SUBSTITUTED) PHENYL PROPIONIC ACIDS AND DERIVATIVES COADMINISTERED WITH DOPAMINE | MERRELL-TORAUDE ET CIE (FR) | 1982-08-03 | — | — | US | disclosed |
| US-4336054-A | AMINO ACIDS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1982-06-22 | — | — | US | disclosed |
| US-4330559-A | 2,5-DIAMINO-2-FLUOROMETHYLPENTANOIC ACIDS OR DERIVATIVES | MERRELL-TORAUDE ET CIE (FR) | 1982-05-18 | — | — | US | disclosed |
| US-4315095-A | ANTIHISTAMINES | MERRELL TORAUDE ET COMPAGNIE (FR) | 1982-02-09 | — | — | US | disclosed |
| US-4309442-A | 2,5-DIAMINO-2-FLUOROMETHYLPENTANOIC ACID OR DERIVATIVE THEREOF | MERRELL TORAUDE ET COMPAGNIE (FR) | 1982-01-05 | — | — | US | disclosed |
| US-4190586-A | α-Acetylenic derivatives of α-amino acids | MERRELL TORAUDE ET COMPAGNIE (FR) | 1980-02-26 | — | — | US | disclosed |
| US-4182891-A | ENZYME INHIBITORS, IMMUNOSUPPRESSANTS, CONTROL OF NEOPLASTIC GROWTH | MERRELL TORAUDE ET COMPAGNIE (FR) | 1980-01-08 | — | — | US | disclosed |
| US-4180509-A | ENZYME INHIBITORS, PARKINSON*S DISEASE | MERRELL TORAUDE ET COMPAGNIE (FR) | 1979-12-25 | — | — | US | disclosed |
| US-4139563-A | ENZYME INHIBITORS, ANTIFERTILITY AGENTS, IMMUNOSUPPRESSIVES, ANTITUMOR AGENTS | MERRELL TORAUDE ET COMPAGNIE (FR) | 1979-02-13 | — | — | US | disclosed |
| US-4133964-A | CEPHALOSPORIN INTERMEDIATES, BACTERICIDES, STIMULANTS | MERRELL TORAUDE ET COMPAGNIE (FR) | 1979-01-09 | — | — | US | disclosed |
| US-4103089-A | ANTIHISTAMINES | MERRELL TORAUDE ET COMPAGNIE (FR) | 1978-07-25 | — | — | US | disclosed |
| US-4088668-A | Acetylene derivatives | MERRELL TORAUDE ET COMPAGNIE (FR) | 1978-05-09 | — | — | US | disclosed |