Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29245248 | 0.88 | CYP3A4 (0.48) | ALDH1A1CYP3A4TSHRCA2 | |
| SCHEMBL29245296 | 0.88 | CYP3A4 (0.48) | ALDH1A1CYP3A4TSHRCA2 | |
| SCHEMBL29245199 | 0.86 | ALDH1A1 (0.36) | ALDH1A1CYP3A4TSHRCA2 | |
| SCHEMBL29245271 | 0.86 | CA2 (0.37) | ALDH1A1CYP3A4TSHRCA2 | |
| SCHEMBL5603683 | 0.83 | CYP3A4 (0.52) | ALDH1A1CYP3A4TSHRCA2TP53 | |
| SCHEMBL29245276 | 0.81 | CYP3A4 (0.42) | ALDH1A1CYP3A4TSHRCA2 | |
| SCHEMBL29245244 | 0.81 | CYP3A4 (0.42) | ALDH1A1CYP3A4TSHRCA2 | |
| SCHEMBL177847 | 0.79 | CYP3A4 (0.50) | ALDH1A1CYP3A4TSHRTP53TDP1 | |
| SCHEMBL11908183 | 0.78 | CYP3A4 (0.42) | ALDH1A1CYP3A4TSHRCA2 | |
| SCHEMBL22974759 | 0.76 | CYP3A4 (0.62) | ALDH1A1CYP3A4TSHRCA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0532531-A1 | PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1993-03-24 | — | — | EP | disclosed |
| WO-1991017987-A1 | PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1991-11-28 | — | — | WO | disclosed |
| US-4851399-A | Isoquinoline derivatives and their use as anti-cancer agents | GLAXO GROUP LIMITED (GB) | 1989-07-25 | — | — | US | disclosed |