Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 19/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GNRHR | P30968 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL688251 | 0.93 | CTSA (0.44) | CTSACYP3A4GNRHR | |
| SCHEMBL687499 | 0.91 | CTSA (0.45) | CTSA | |
| SCHEMBL687521 | 0.87 | GNRHR (0.43) | CTSACYP3A4GNRHR | |
| SCHEMBL688046 | 0.84 | CTSA (0.42) | CTSACYP3A4 | |
| SCHEMBL688358 | 0.83 | POLB (0.39) | CTSACYP3A4GNRHR | |
| SCHEMBL687715 | 0.83 | CTSA (0.39) | CTSA | |
| SCHEMBL688604 | 0.83 | POLB (0.41) | CTSACYP3A4 | |
| SCHEMBL688871 | 0.83 | CTSA (0.44) | CTSA | |
| SCHEMBL688146 | 0.83 | CTSA (0.41) | CTSACYP3A4 | |
| SCHEMBL688495 | 0.83 | POLB (0.39) | CTSA |
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 |