Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 12/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 12/20 | 0.41 |
| ▸ | PTGER3 | P43115 | 4/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | CTSA | P10619 | 2/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL687923 | 0.93 | PTGER3 (0.41) | ITGB1ITGA4PTGER3CNR2CTSA | |
| SCHEMBL688053 | 0.92 | PTGER3 (0.43) | PTGER3CNR2CTSASLC22A12 | |
| SCHEMBL688669 | 0.92 | PTGER3 (0.42) | ITGB1ITGA4PTGER3CNR2CTSA | |
| SCHEMBL688474 | 0.91 | PTGER3 (0.39) | ITGB1ITGA4PTGER3CNR2CTSA | |
| SCHEMBL29371834 | 0.91 | PTGER3 (0.44) | PTGER3CNR2CTSASLC22A12 | |
| SCHEMBL688284 | 0.91 | PTGER3 (0.43) | ITGB1ITGA4PTGER3CNR2CTSA | |
| SCHEMBL686896 | 0.91 | PTGER3 (0.44) | PTGER3CNR2CTSASLC22A12 | |
| SCHEMBL687791 | 0.89 | PTGER3 (0.43) | PTGER3CNR2CTSA | |
| SCHEMBL688581 | 0.89 | PTGER3 (0.44) | ITGB1ITGA4PTGER3CNR2SLC22A12 | |
| SCHEMBL686842 | 0.88 | PTGER3 (0.45) | ITGB1ITGA4PTGER3CNR2CTSA |
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 |