Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 6/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TOP1 | P11387 | 2/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7007053 | 0.88 | TOP1 (0.45) | KHKCYP2D6USP2TOP1CNR1 | |
| SCHEMBL7011985 | 0.85 | TOP1 (0.37) | KHKTOP1CYP3A4SMN1; SMN2CNR1 | |
| SCHEMBL7011265 | 0.84 | ITGB3 (0.39) | KHKCYP2D6USP2ITGB3ITGA2B | |
| SCHEMBL7006119 | 0.82 | KDM4E (0.46) | CYP2D6USP2TOP1ITGB3ITGA2B | |
| SCHEMBL27439568 | 0.77 | KHK (0.37) | KHKCYP2D6USP2AOC3ITGB3 | |
| SCHEMBL7007290 | 0.73 | TOP1 (0.47) | TOP1CNR1CNR2CYP2C9CYP1A2 | |
| SCHEMBL7005462 | 0.73 | TOP1 (0.42) | KHKCYP2D6USP2TOP1ITGB3 | |
| SCHEMBL7006080 | 0.72 | ITGB3 (0.39) | KHKITGB3ITGA2B | |
| SCHEMBL7011271 | 0.71 | F10 (0.40) | ITGB3ITGA2B | |
| SCHEMBL7404567 | 0.70 | DRD3 (0.52) | KHKCYP2D6USP2TOP1SMN1; SMN2 |
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-0614664-B2 | Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-08 | — | — | EP | claimed |
| EP-0614664-B1 | Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-09-16 | — | — | EP | claimed |