Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL687304 | 0.93 | KEAP1 (0.41) | ITGB1ITGA4MEN1KMT2AKEAP1 | |
| SCHEMBL687472 | 0.89 | KMT2A (0.41) | ITGB1ITGA4MEN1KMT2AKEAP1 | |
| SCHEMBL688460 | 0.87 | PTGER3 (0.39) | ITGB1ITGA4ALDH1A1PTGDR2CTSA | |
| SCHEMBL688149 | 0.86 | PDE4A (0.38) | ITGB1ITGA4PDE4APDE4BPDE4C | |
| SCHEMBL688301 | 0.84 | PTGER4 (0.42) | ALDH1A1CTSA | |
| SCHEMBL688495 | 0.83 | POLB (0.39) | KEAP1NFE2L2CYP26A1LMNACTSA | |
| SCHEMBL688046 | 0.82 | CTSA (0.42) | MEN1KMT2AKEAP1NFE2L2CYP26A1 | |
| SCHEMBL29371834 | 0.82 | PTGER3 (0.44) | CTSA | |
| SCHEMBL686896 | 0.82 | PTGER3 (0.44) | CTSA | |
| SCHEMBL688416 | 0.82 | PDE4A (0.35) | ITGB1ITGA4PDE4AALDH1A1L3MBTL1 |
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 |