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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6648044 | 0.82 | CYP17A1 (0.36) | CYP17A1SRD5A2NPC1RAB9ANQO1 | |
| Hydrochloric Acid SCHEMBL6648542 | 0.82 | CYP17A1 (0.36) | CYP17A1SRD5A2NPC1RAB9ANQO1 | |
| Hydrochloric Acid SCHEMBL6652789 | 0.80 | CYP17A1 (0.34) | CYP17A1SRD5A2GABRPGABRDGABRA1 | |
| SCHEMBL6651176 | 0.80 | CYP17A1 (0.35) | CYP17A1SRD5A2NPC1RAB9ANQO1 | |
| SCHEMBL6650825 | 0.80 | CYP17A1 (0.35) | CYP17A1SRD5A2NPC1RAB9ANQO1 | |
| SCHEMBL6651662 | 0.77 | CYP17A1 (0.33) | CYP17A1SRD5A2NPC1RAB9ANQO1 | |
| Hydrochloric Acid SCHEMBL6655491 | 0.77 | — | — | |
| SCHEMBL723322 | 0.73 | CYP17A1 (0.47) | CYP17A1SRD5A2NPC1RAB9ANQO1 | |
| SCHEMBL8608177 | 0.70 | NPC1 (0.48) | CYP17A1SRD5A2NPC1RAB9ACYP1A2 | |
| SCHEMBL724475 | 0.68 | TSHR (0.45) | CYP17A1SRD5A2NPC1RAB9ACYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6534665-B1 | Used for polymerization and copolymerization of olefins | REPSOL QUIMICA S.A. (ES) | 2003-03-18 | — | — | US | claimed |
| EP-1095944-B1 | Single-carbon bridged bis cyclopentadienyl compounds and metallocene complexes thereof | REPSOL QUIMICA SA (ES) | 2004-03-17 | — | — | EP | disclosed |
| US-6534665-B1 | Used for polymerization and copolymerization of olefins | REPSOL QUIMICA S.A. (ES) | 2003-03-18 | — | — | US | disclosed |
| EP-1095944-A1 | Single-carbon bridged bis cyclopentadienyl compounds and metallocene complexes thereof | REPSOL QUIMICA S.A. (ES) | 2001-05-02 | — | — | EP | disclosed |