Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 4/20 | 0.37 |
| ▸ | KHK | P50053 | 10/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | BCR | P11274 | 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 | |
|---|---|---|---|---|
| SCHEMBL7007290 | 0.90 | TOP1 (0.47) | TOP1CNR1CNR2 | |
| SCHEMBL7009855 | 0.85 | KHK (0.38) | TOP1KHKCNR1CNR2CYP3A4 | |
| SCHEMBL7006582 | 0.81 | KDM4E (0.41) | TOP1ALOX15 | |
| SCHEMBL7011265 | 0.80 | ITGB3 (0.39) | KHKCYP3A4ALOX15 | |
| SCHEMBL27439565 | 0.79 | FEN1 (0.35) | TOP1KHKCYP3A4SMN1; SMN2ALOX15 | |
| SCHEMBL7007053 | 0.74 | TOP1 (0.45) | TOP1KHKCNR1CNR2 | |
| SCHEMBL10804487 | 0.72 | KDM4E (0.50) | KHK | |
| Hydrochloric Acid SCHEMBL27411367 | 0.71 | KDM4E (0.36) | KHKCYP3A4SMN1; SMN2ALOX15 | |
| SCHEMBL7008626 | 0.70 | CHRM1 (0.56) | TOP1CNR1CNR2SMN1; SMN2 | |
| SCHEMBL7006080 | 0.70 | ITGB3 (0.39) | KHK |
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 |