Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 6/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | C1S | P09871 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | KHK | P50053 | 1/20 | 0.36 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | IGF2BP1 | Q9NZI8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7005462 | 0.90 | TOP1 (0.42) | ITGB3ITGA2BCYP3A4CYP2C9C1S | |
| SCHEMBL7009855 | 0.84 | KHK (0.38) | ITGB3ITGA2BCYP3A4CYP2C9CYP2D6 | |
| SCHEMBL7006080 | 0.81 | ITGB3 (0.39) | ITGB3ITGA2BKHK | |
| SCHEMBL7011985 | 0.80 | TOP1 (0.37) | CYP3A4KHKALOX15 | |
| SCHEMBL7011271 | 0.79 | F10 (0.40) | ITGB3ITGA2BMAPT | |
| SCHEMBL7006800 | 0.78 | RXFP1 (0.35) | ITGB3ITGA2BTSHRMAPTLMNA | |
| SCHEMBL7014454 | 0.78 | F10 (0.34) | ITGB3ITGA2B | |
| SCHEMBL7006567 | 0.77 | PRSS1 (0.33) | — | |
| SCHEMBL7007053 | 0.73 | TOP1 (0.45) | CYP2D6USP2KHKLMNA | |
| SCHEMBL8380898 | 0.72 | SLC6A7 (0.43) | CYP3A4CYP2C9CYP2D6USP2SLC6A7 |
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 |