Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL9024905 | 0.86 | TYMS (0.38) | TYMSPTPN1 | |
| SCHEMBL9031233 | 0.76 | GABRA1 (0.34) | GRM5 | |
| SCHEMBL28705640 | 0.73 | ALDH1A1 (0.45) | — | |
| SCHEMBL51879 | 0.73 | HPGD (0.45) | TYMS | |
| SCHEMBL566630 | 0.73 | PARP1 (0.40) | — | |
| SCHEMBL11520308 | 0.73 | PARP10 (0.43) | — | |
| SCHEMBL8561388 | 0.73 | PARP10 (0.43) | TYMS | |
| SCHEMBL9014737 | 0.71 | TYMS (0.40) | TYMSGRM5PTPN1 | |
| SCHEMBL6979260 | 0.69 | GRM5 (0.62) | TYMSGRM5 | |
| SCHEMBL6238887 | 0.67 | ALDH1A1 (0.47) | — |
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 |