Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.38 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.38 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | GNRHR | P30968 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 2/20 | 0.34 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGAV | P06756 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL688146 | 0.91 | CTSA (0.41) | CYP3A4KDM4EALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL688416 | 0.90 | PDE4A (0.35) | PDE4APDE7AITGB1ITGA4CYP3A4 | |
| SCHEMBL688460 | 0.90 | PTGER3 (0.39) | ITGB1ITGA4KDM4EALDH1A1CTSA | |
| SCHEMBL688220 | 0.88 | SLC22A12 (0.36) | ITGB1ITGA4CYP3A4KDM4EALDH1A1 | |
| SCHEMBL688046 | 0.88 | CTSA (0.42) | CYP3A4KDM4EALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL687670 | 0.86 | ITGB1 (0.38) | PDE4AITGB1ITGA4PDE4BPDE4C | |
| SCHEMBL687082 | 0.84 | POLB (0.39) | PDE4APDE7AITGB1ITGA4CYP3A4 | |
| SCHEMBL687310 | 0.83 | CTSA (0.39) | PDE4ACYP3A4PDE4BPDE4CPDE4D | |
| SCHEMBL688167 | 0.83 | SMN1; SMN2 (0.43) | PDE4AITGB1ITGA4CYP3A4PDE4B | |
| SCHEMBL693144 | 0.83 | KDM4E (0.37) | ITGB1ITGA4CYP3A4KDM4EALDH1A1 |
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-1203766-B1 | Carboxylic acid derivatives that inhibit the binding of integrins to their receptors | ENCYSIVE PHARMACEUTICALS INC (US) | 2012-02-29 | — | — | EP | disclosed |
| EP-1203766-A2 | Carboxylic acid derivatives that inhibit the binding of integrins to their receptors | TEXAS BIOTECHNOLOGY CORPORATION (US) | 2002-05-08 | — | — | EP | disclosed |