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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3530345 | 0.99 | NPC1 (0.54) | NPC1RAB9AATMTSHRLMNA | |
| Hydrochloric Acid SCHEMBL3529156 | 0.97 | NPC1 (0.53) | NPC1RAB9AATMTSHRLMNA | |
| Hydrochloric Acid SCHEMBL5345941 | 0.84 | NPC1 (0.58) | NPC1RAB9AATMTSHRLMNA | |
| Hydrochloric Acid SCHEMBL29550623 | 0.84 | NPC1 (0.58) | NPC1RAB9AATMTSHRLMNA | |
| Hydrochloric Acid SCHEMBL7787708 | 0.84 | NPC1 (0.61) | NPC1RAB9AATMTSHRLMNA | |
| SCHEMBL16318162 | 0.83 | TSHR (0.46) | NPC1RAB9AATMTSHRLMNA | |
| SCHEMBL9517365 | 0.83 | NPC1 (0.56) | NPC1RAB9AATMTSHRLMNA | |
| Hydrochloric Acid SCHEMBL599994 | 0.82 | NPC1 (0.65) | NPC1RAB9AATMTSHRGAA | |
| Hydrochloric Acid SCHEMBL30343291 | 0.82 | NPC1 (0.65) | NPC1RAB9AATMTSHRGAA | |
| SCHEMBL11694301 | 0.81 | NPC1 (0.62) | NPC1RAB9AATMTSHRLMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0679939-B1 | Acyl substituted oxonol dyes | EASTMAN KODAK CO (US) | 2001-11-14 | — | — | EP | disclosed |
| EP-1087964-A1 | N-BENZODIOXANYLMETHYL-1-PIPERIDYL-METHYLAMINE COMPOUNDS HAVING AFFINITY FOR 5-HT RECEPTORS | KNOLL AKTIENGESELLSCHAFT (DE) | 2001-04-04 | — | — | EP | disclosed |
| EP-0717739-B1 | 1,4-Benzodioxane derivatives having affinity for D2 receptors and utility in the treatment of psychoses | KNOLL AG (DE) | 2000-03-29 | — | — | EP | disclosed |
| WO-1999062902-A1 | N-BENZODIOXANYLMETHYL-1-PIPERIDYL-METHYLAMINE COMPOUNDS HAVING AFFINITY FOR 5-HT RECEPTORS | KNOLL AKTIENGESELLSCHAFT (DE) | 1999-12-09 | — | — | WO | disclosed |
| US-5767116-A | TREATING PSYCHOSES | KNOLL ATKIENGESELLSCHAFT (DE) | 1998-06-16 | — | — | US | disclosed |
| EP-0717739-A1 | BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1996-06-26 | — | — | EP | disclosed |
| EP-0679939-A1 | Acyl substituted oxonol dyes | EASTMAN KODAK COMPANY (US) | 1995-11-02 | — | — | EP | disclosed |
| US-5451494-A | Photographic elements containing acyl substituted oxonol dyes | EASTMAN KODAK COMPANY (US) | 1995-09-19 | — | — | US | disclosed |
| WO-1995007274-A1 | BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1995-03-16 | — | — | WO | disclosed |