Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
| ▸ | VNN1 | O95497 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PTPRA | P18433 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | GLS | O94925 | 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 | |
|---|---|---|---|---|
| SCHEMBL8765876 | 0.76 | NAAA (0.35) | PTPRANOS1 | |
| SCHEMBL8766796 | 0.74 | KDM4E (0.34) | CYP1A2VNN1CYP2C9NAMPTTBXAS1 | |
| SCHEMBL6046250 | 0.73 | CYP1A2 (0.50) | CYP1A2CTDSP1VNN1CES1CYP2C19 | |
| SCHEMBL5326890 | 0.73 | CYP1A2 (0.71) | CYP1A2CTDSP1VNN1P2RX7NOS1 | |
| SCHEMBL27449978 | 0.72 | TBXAS1 (0.53) | CYP1A2CTDSP1CES1SMN1; SMN2TBXAS1 | |
| SCHEMBL18854185 | 0.72 | CYP1A2 (0.44) | CYP1A2CTDSP1VNN1CES1CYP2C9 | |
| SCHEMBL20224951 | 0.72 | CYP1A2 (0.40) | CYP1A2CTDSP1VNN1P2RX7CYP2C19 | |
| SCHEMBL9842898 | 0.71 | TBXAS1 (0.54) | CYP1A2CES1TBXAS1 | |
| SCHEMBL18110355 | 0.70 | CYP1A2 (0.42) | CYP1A2CTDSP1VNN1CES1CYP2C9 | |
| SCHEMBL2436110 | 0.70 | CYP1A2 (0.50) | CYP1A2CTDSP1VNN1CES1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0785782-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | Allergan (US) | 1997-07-30 | — | — | EP | disclosed |
| WO-1996011686-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1996-04-25 | — | — | WO | disclosed |