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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.64 |
| ▸ | CACNA1B known ✓ | Q00975 | 1/20 | 0.50 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.74 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.72 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 6/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CCR6 | P51684 | 1/20 | 0.50 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL890039 | 0.98 | LMNA (0.77) | LMNAHSD17B10ALDH1A1L3MBTL1PTGS2 | |
| Bromide SCHEMBL28098177 | 0.96 | LMNA (0.74) | LMNAHSD17B10ALDH1A1L3MBTL1PTGS2 | |
| Bromide SCHEMBL351809 | 0.96 | LMNA (0.74) | LMNAHSD17B10ALDH1A1L3MBTL1PTGS2 | |
| Hydrochloric Acid SCHEMBL5459649 | 0.89 | L3MBTL1 (0.73) | LMNAHSD17B10ALDH1A1L3MBTL1PTGS2 | |
| SCHEMBL11531369 | 0.89 | ALDH1A1 (0.70) | LMNAHSD17B10ALDH1A1L3MBTL1PTGS2 | |
| Urea SCHEMBL28915393 | 0.88 | PTGS2 (0.64) | LMNAHSD17B10ALDH1A1L3MBTL1PTGS2 | |
| SCHEMBL11536760 | 0.87 | ALDH1A1 (0.65) | LMNAHSD17B10ALDH1A1L3MBTL1PTGS2 | |
| SCHEMBL15452507 | 0.87 | ALDH1A1 (0.71) | LMNAHSD17B10ALDH1A1L3MBTL1PTGS2 | |
| SCHEMBL8534360 | 0.85 | LMNA (0.71) | LMNAHSD17B10ALDH1A1L3MBTL1PTGS2 | |
| Hydrochloric Acid SCHEMBL5466223 | 0.85 | ALDH1A1 (0.85) | LMNAHSD17B10ALDH1A1L3MBTL1PTGS2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10772974-B2 | Compositions and methods for cardiac regeneration | BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) | 2020-09-15 | — | — | US | disclosed |
| US-20160287724-A1 | COMPOSITIONS AND METHODS FOR CARDIAC REGENERATION | BETH ISRAEL DEACONESS MEDICAL CENTER, INC. | 2016-10-06 | — | — | US | disclosed |
| WO-2015074010-A2 | COMPOSITIONS AND METHODS FOR CARDIAC REGENERATION | BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) | 2015-05-21 | — | — | WO | disclosed |
| US-6211211-B1 | ANXIOLYTIC, ANTICONVULSANT AND ANTIEPILEPTIC AGENT | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-04-03 | — | — | US | disclosed |
| EP-0237738-B1 | METHOD FOR IN SITU CORROSION DETECTION USING ELECTROCHEMICALLY ACTIVE COMPOUNDS | NALCO CHEMICAL COMPANY (US) | 1992-11-19 | — | — | EP | disclosed |
| EP-0042714-B1 | PREPARATION OF HETEROPOLYSACCHARIDE S-119 AND MICROORGANISM FOR USE THEREIN | MERCK & CO. INC. (US) | 1984-05-16 | — | — | EP | disclosed |
| US-4342601-A | Use of heteropolysaccharide S-119 as a paper finish | MERCK & CO., INC. (US) | 1982-08-03 | — | — | US | disclosed |
| US-4339239-A | TEXTILE DYE BATHS | MERCK & CO., INC. (US) | 1982-07-13 | — | — | US | disclosed |
| US-4311601-A | Use of heteropolysaccharide S-119 as a warp size | MERCK & CO., INC. (US) | 1982-01-19 | — | — | US | disclosed |
| EP-0042714-A2 | Preparation of heteropolysaccharide S-119 and microorganism for use therein | MERCK & CO. INC. (US) | 1981-12-30 | — | — | EP | disclosed |
| US-4269939-A | AEROBIC FERMENTATION OF AN AGROBACTERIUM IN A AQUEOUS NUTRIENT CULTURE MEDIUM | MERCK & CO., INC. (US) | 1981-05-26 | — | — | US | disclosed |
| US-4259451-A | AGROBACTERIUM RADIOBACTER VARIANT | MERCK & CO., INC. (US) | 1981-03-31 | — | — | US | disclosed |