Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | GNRHR | P30968 | 1/20 | 0.33 |
| ▸ | CTSA | P10619 | 4/20 | 0.32 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL687715 | 0.92 | CTSA (0.39) | KDM4EALDH1A1SMN1; SMN2ITGB1ITGA4 | |
| SCHEMBL688149 | 0.90 | PDE4A (0.38) | PDE4APDE7AKDM4EALDH1A1ITGB1 | |
| SCHEMBL686989 | 0.88 | SMN1; SMN2 (0.38) | KDM4EALDH1A1SMN1; SMN2ITGB1ITGA4 | |
| SCHEMBL688386 | 0.87 | SMN1; SMN2 (0.40) | KDM4EALDH1A1SMN1; SMN2ITGB1ITGA4 | |
| SCHEMBL687907 | 0.86 | SMN1; SMN2 (0.38) | KDM4EALDH1A1SMN1; SMN2ITGB1ITGA4 | |
| SCHEMBL688286 | 0.86 | SMN1; SMN2 (0.39) | KDM4EALDH1A1SMN1; SMN2CYP3A4CTSA | |
| SCHEMBL687119 | 0.86 | SMN1; SMN2 (0.36) | KDM4EALDH1A1SMN1; SMN2ITGB1ITGA4 | |
| SCHEMBL687631 | 0.86 | SMN1; SMN2 (0.49) | PDE4AKDM4EALDH1A1SMN1; SMN2CTSA | |
| SCHEMBL688330 | 0.85 | SMN1; SMN2 (0.40) | KDM4EALDH1A1SMN1; SMN2CTSANPSR1 | |
| SCHEMBL13120932 | 0.85 | MAPT (0.38) | KDM4EALDH1A1SMN1; SMN2RXFP1 |
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 |