Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PYGL | P06737 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9473280 | 1.00 | ALDH1A1 (0.45) | ALDH1A1HTTTP53RXFP1CYP2C9 | |
| SCHEMBL9473320 | 0.92 | ALDH1A1 (0.53) | ALDH1A1HTTTP53RXFP1CYP2C9 | |
| SCHEMBL9473314 | 0.92 | ALDH1A1 (0.53) | ALDH1A1HTTTP53RXFP1CYP2C9 | |
| SCHEMBL9474710 | 0.89 | TP53 (0.40) | TP53RXFP1 | |
| SCHEMBL9474084 | 0.84 | MEN1 (0.42) | — | |
| SCHEMBL9473162 | 0.84 | MEN1 (0.42) | — | |
| SCHEMBL9473192 | 0.81 | CCR2 (0.45) | ALDH1A1TP53 | |
| SCHEMBL9473195 | 0.81 | TP53 (0.43) | ALDH1A1TP53 | |
| SCHEMBL9856770 | 0.81 | ITGA4 (0.44) | TP53PYGL | |
| SCHEMBL9473551 | 0.79 | ITGB2 (0.49) | ALDH1A1CYP2C19CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5234917-A | Hypotensive agent, treatment of renal failure or glaucoma | SMITHKLINE BEECHAM CORPORATION | 1993-08-10 | — | — | US | disclosed |
| EP-0437103-A2 | Substituted 5-(alkyl)carboxamide imidazoles | SMITHKLINE BEECHAM CORPORATION (US) | 1991-07-17 | — | — | EP | disclosed |