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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 4/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL231466 | 0.95 | CYP3A4 (0.45) | TDP1CYP3A4TP53ESR1ESR2 | |
| SCHEMBL5588513 | 0.92 | CYP3A4 (0.43) | TDP1CYP3A4TP53ESR1ESR2 | |
| SCHEMBL11530312 | 0.92 | CYP3A4 (0.43) | TDP1CYP3A4TP53ESR1ESR2 | |
| SCHEMBL4257325 | 0.92 | CYP3A4 (0.43) | TDP1CYP3A4TP53ESR1ESR2 | |
| Phosphine SCHEMBL28045431 | 0.92 | CYP3A4 (0.43) | TDP1CYP3A4TP53ESR1ESR2 | |
| SCHEMBL11551492 | 0.92 | CYP3A4 (0.43) | TDP1CYP3A4TP53ESR1ESR2 | |
| SCHEMBL29598351 | 0.92 | CYP3A4 (0.43) | TDP1CYP3A4TP53ESR1ESR2 | |
| SCHEMBL11208466 | 0.87 | CYP3A4 (0.39) | TDP1CYP3A4TP53ESR1ESR2 | |
| SCHEMBL7763562 | 0.87 | CYP3A4 (0.39) | TDP1CYP3A4TP53ESR1ESR2 | |
| SCHEMBL1984766 | 0.85 | CYP3A4 (0.38) | TDP1CYP3A4TP53ESR1ESR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4144399-A | OSMIUM OR RUTHENIUM-CONTAINING CATALYST | ATLANTIC RICHFIELD COMPANY (US) | 1979-03-13 | — | — | US | claimed |