Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL9024306 | 0.86 | TYMS (0.35) | TYMSPTPN1 | |
| SCHEMBL9006984 | 0.73 | TDP1 (0.43) | TYMS | |
| SCHEMBL9014737 | 0.71 | TYMS (0.40) | TYMSSLC6A4AKR1C3PTPN1 | |
| SCHEMBL29836089 | 0.67 | ALDH1A1 (0.47) | — | |
| SCHEMBL6238887 | 0.67 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL28694708 | 0.66 | ALDH1A1 (0.46) | — | |
| SCHEMBL6979260 | 0.66 | GRM5 (0.62) | TYMS | |
| SCHEMBL28361892 | 0.64 | TYMS (0.31) | TYMS | |
| SCHEMBL9031233 | 0.64 | GABRA1 (0.34) | — | |
| SCHEMBL8669783 | 0.63 | TSHR (0.40) | TYMSSLC6A4AKR1C3 |
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-0738267-A1 | ACETYLENES DISUBSTITUTED WITH A PHENYL OR HETEROARYL GROUP AND A 2-OXOCHROMANYL, 2-OXOTHIOCHROMANYL OR 2-OXO-1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | Allergan (US) | 1996-10-23 | — | — | EP | disclosed |
| WO-1995018803-A1 | ACETYLENES DISUBSTITUTED WITH A PHENYL OR HETEROARYL GROUP AND A 2-OXOCHROMANYL, 2-OXOTHIOCHROMANYL OR 2-OXO-1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1995-07-13 | — | — | WO | disclosed |
| US-5399561-A | Used for treating skin disorders in mammals | ALLERGAN, INC. (US) | 1995-03-21 | — | — | US | disclosed |