Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | G6PD | P11413 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CHAT | P28329 | 2/20 | 0.36 |
| ▸ | FBP1 | P09467 | 2/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7197516 | 0.97 | ALDH1A1 (0.41) | ALDH1A1TSHRMAOBCYP2A6G6PD | |
| Hydrochloric Acid SCHEMBL5259113 | 0.76 | TLR4 (0.51) | TSHRMAOBMAPTLMNAAKR1C3 | |
| Hydrochloric Acid SCHEMBL5256861 | 0.76 | CYP2A6 (0.46) | CYP2A6MAPTPOLBGAATDP1 | |
| SCHEMBL22575907 | 0.76 | G6PD (0.47) | ALDH1A1TSHRG6PDMAPTPOLB | |
| SCHEMBL10448311 | 0.76 | G6PD (0.47) | ALDH1A1TSHRG6PDMAPTPOLB | |
| SCHEMBL1404289 | 0.76 | G6PD (0.47) | ALDH1A1TSHRG6PDMAPTPOLB | |
| SCHEMBL17689681 | 0.76 | TDP1 (0.41) | ALDH1A1TSHRMAOBCYP2A6G6PD | |
| Hydrochloric Acid SCHEMBL5260073 | 0.74 | ALDH1A1 (0.45) | ALDH1A1TSHRMAPTFBP1TRPA1 | |
| Hydrochloric Acid SCHEMBL5261873 | 0.74 | TP53 (0.54) | ALDH1A1TSHRMAOBMAPTTDP1 | |
| SCHEMBL27493057 | 0.72 | CYP2A6 (0.48) | ALDH1A1CYP2A6MAPTPOLBTDP1 |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1261585-B1 | SUBSTITUTED INDOLE MANNICH BASES | GRUENENTHAL GMBH (DE) | 2007-09-26 | — | — | EP | disclosed |
| US-7202242-B2 | Substituted 1 and 2-naphthol Mannich bases | GRUENENTHAL GMBH (DE) | 2007-04-10 | — | — | US | disclosed |
| US-RE39530-E1 | 3-amino-3-arylpropan-1-ol-compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-03-27 | — | — | US | disclosed |
| US-7091220-B2 | Substituted indole Mannich bases | GRUENENTHAL GMBH (DE) | 2006-08-15 | — | — | US | disclosed |
| US-7034018-B2 | Substituted pyrrole mannich bases to combat pain and allergic reactions | GRUENENTHAL GMBH (DE) | 2006-04-25 | — | — | US | disclosed |
| CN-1247523-C | Substitued 1 and 2 naphthol mannich bases | GRUENENTHAL GMBH (DE) | 2006-03-29 | — | — | CN | disclosed |
| US-7012099-B2 | Using substituted 4-amino-1- phenylbutan-2-ol compounds in form of their racemates, enantiomers, diastereoisomers or corresponding bases or corresponding salts of acids as regulators for the nociceptin/orphanin FQ ligands in drugs | GRUENENTHAL GMBH (DE) | 2006-03-14 | — | — | US | disclosed |
| EP-1246790-B1 | SUBSTITUTED 1 AND 2 NAPHTHOL MANNICH BASES | GRUENENTHAL GMBH (DE) | 2005-05-04 | — | — | EP | disclosed |
| EP-1253917-B1 | USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2005-02-16 | — | — | EP | disclosed |
| US-6774136-B2 | Substituted 1 and 2 naphthol mannich bases | GRUENENTHAL GMBH (DE) | 2004-08-10 | — | — | US | disclosed |
| US-6410790-B1 | ANALGESICS | GRUENENTHAL GMBH (DE) | 2002-06-25 | — | — | US | disclosed |
| US-6288278-B1 | BENZENE DERIVED AMINO ALCOHOLS AS DRUGS | GRUENENTHAL GMBH (DE) | 2001-09-11 | — | — | US | disclosed |
| WO-2001047506-A2 | USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS | Grünenthal GmbH (DE) | 2001-07-05 | — | — | WO | disclosed |
| WO-2001047866-A1 | SUBSTITUTED 1 AND 2 NAPHTHOL MANNICH BASES | Grünenthal GmbH (DE) | 2001-07-05 | — | — | WO | disclosed |
| WO-2001047885-A1 | SUBSTITUTED INDOLE MANNICH BASES | Grünenthal GmbH (DE) | 2001-07-05 | — | — | WO | disclosed |
| WO-2001047878-A1 | SUBSTITUTED PYRROLE MANNICH BASES TO COMBAT PAIN AND ALLERGIC REACTIONS | Grünenthal GmbH (DE) | 2001-07-05 | — | — | WO | disclosed |
| WO-2001047882-A2 | SUBSTANCE LIBRARY WHICH CAN BE OBTAINED BY REACTING ALDEHYDES WITH SECONDARY AMINES, ACID CHLORIDES AND NAPHTHOL, PYRROLE AND/OR INDOLE COMPOUNDS | Grünenthal GmbH (DE) | 2001-07-05 | — | — | WO | disclosed |
| EP-1043307-A2 | 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use | Grünenthal GmbH (DE) | 2000-10-11 | — | — | EP | disclosed |
| EP-1043306-A2 | 3-amino-3-arylpropan-1-ol-derivates, their preparation and use | Grünenthal GmbH (DE) | 2000-10-11 | — | — | EP | disclosed |
| US-3962269-A | ANALGESICS | ELI LILLY AND COMPANY (US) | 1976-06-08 | — | — | US | disclosed |