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 | 1/20 | 0.61 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.65 |
| ▸ | ALPI | P09923 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | XIAP | P98170 | 1/20 | 0.61 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.61 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.59 |
| ▸ | CPA3 | P15088 | 3/20 | 0.57 |
| ▸ | CPA1 | P15085 | 3/20 | 0.57 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.57 |
| ▸ | CPB1 | P15086 | 1/20 | 0.57 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.57 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.55 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.55 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.55 |
| ▸ | LDHA | P00338 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL392827 | 0.97 | CYP1A2 (0.70) | CYP1A2MDM2ALPIPKMPTGS1 | |
| SCHEMBL28314499 | 0.95 | CYP1A2 (0.67) | CYP1A2MDM2ALPIPKMPTGS1 | |
| SCHEMBL27876635 | 0.95 | CYP1A2 (0.67) | CYP1A2MDM2ALPIPKMPTGS1 | |
| SCHEMBL28377626 | 0.95 | CYP1A2 (0.67) | CYP1A2MDM2ALPIPKMPTGS1 | |
| Dimethylamine SCHEMBL7326134 | 0.89 | CYP1A2 (0.59) | CYP1A2MDM2ALPIPKMPTGS1 | |
| SCHEMBL30877184 | 0.87 | LDHA (0.68) | CYP1A2MDM2ALPIPKMPTGS1 | |
| Hydrochloric Acid SCHEMBL20474541 | 0.87 | CYP1A2 (0.57) | CYP1A2MDM2ALPIPKMPTGS1 | |
| SCHEMBL9056878 | 0.84 | CYP1A2 (0.59) | CYP1A2MDM2ALPIPKMPTGS1 | |
| SCHEMBL9833991 | 0.84 | ALPI (0.61) | CYP1A2MDM2ALPIPKMPTGS1 | |
| SCHEMBL1532407 | 0.84 | ALPI (0.61) | CYP1A2MDM2ALPIPKMPTGS1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5428009-A | Antibiotics, fungicides, and antiprotozoa agents | MERCK & CO., INC. (US) | 1995-06-27 | — | — | US | disclosed |
| US-5385884-A | Water-soluble, injectible echinocandins; fungicides; antiprotozoa agents, yeasts | MERCK & CO. INC. (US) | 1995-01-31 | — | — | US | disclosed |
| US-5369093-A | Antibiotic lipopeptides as fungicides and antiprotozoa agents | MERCK & CO., INC. (US) | 1994-11-29 | — | — | US | disclosed |
| US-5330973-A | Fungicides, antiprotozoa agents | MERCK & CO., INC. (US) | 1994-07-19 | — | — | US | disclosed |
| EP-0503960-A1 | Cyclic lipopeptides having antibiotic activity | MERCK & CO. INC. (US) | 1992-09-16 | — | — | EP | disclosed |
| EP-0448354-A2 | Lipopeptide derivatives | MERCK & CO. INC. (US) | 1991-09-25 | — | — | EP | disclosed |
| EP-0448343-A2 | Lipopeptide derivatives | MERCK & CO. INC. (US) | 1991-09-25 | — | — | EP | disclosed |
| US-4508723-A | 6-Azaoligocycloalkylmethyleneaminopenam compounds | CIBA GEIGY CORPORATION (US) | 1985-04-02 | — | — | US | disclosed |