Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 6/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.35 |
| ▸ | PYGL | P06737 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL688330 | 0.92 | SMN1; SMN2 (0.40) | CTSAPTGER3CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL686938 | 0.90 | PTGER3 (0.47) | CTSAPTGER3ALDH1A1GCGRTHRB | |
| SCHEMBL687082 | 0.89 | POLB (0.39) | CTSACYP2C9CYP2C19PDE4AALDH1A1 | |
| SCHEMBL688220 | 0.88 | SLC22A12 (0.36) | CTSACYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL687907 | 0.87 | SMN1; SMN2 (0.38) | CTSAPTGER3ALDH1A1KDM4EMAPT | |
| SCHEMBL688146 | 0.87 | CTSA (0.41) | CTSACYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL693144 | 0.86 | KDM4E (0.37) | CTSACYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL688327 | 0.86 | SLC22A12 (0.34) | CTSACYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL13120941 | 0.85 | ALDH1A1 (0.40) | PTGER3CYP2C9CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL688167 | 0.85 | SMN1; SMN2 (0.43) | CTSACYP2C9CYP2C19PDE4APDE4B |
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 |