Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 13/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | GNRHR | P30968 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL687521 | 0.93 | GNRHR (0.43) | CTSACYP3A4GNRHR | |
| SCHEMBL687706 | 0.93 | CTSA (0.45) | CTSACYP3A4GNRHR | |
| SCHEMBL688046 | 0.89 | CTSA (0.42) | CTSAKDM4EALDH1A1MAPK1CYP3A4 | |
| SCHEMBL688146 | 0.88 | CTSA (0.41) | CTSAKDM4EALDH1A1MAPK1CYP3A4 | |
| SCHEMBL687304 | 0.87 | KEAP1 (0.41) | CTSAKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL687651 | 0.86 | CTSA (0.44) | CTSAKDM4EALDH1A1MAPK1CYP3A4 | |
| SCHEMBL688232 | 0.84 | CTSA (0.42) | CTSACYP26A1 | |
| SCHEMBL688871 | 0.84 | CTSA (0.44) | CTSACYP26A1 | |
| SCHEMBL687499 | 0.84 | CTSA (0.45) | CTSA | |
| SCHEMBL687472 | 0.84 | KMT2A (0.41) | CTSAKDM4EALDH1A1MEN1KMT2A |
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 |