Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7248592 | 0.81 | CA1 (0.37) | CA2TGFBR1CA1MMP2MMP9 | |
| SCHEMBL8080233 | 0.77 | ITGB3 (0.36) | CA2TGFBR1MMP2MMP9 | |
| SCHEMBL8091782 | 0.73 | ITGB3 (0.42) | CA2TGFBR1 | |
| SCHEMBL7378230 | 0.72 | GABRR1 (0.34) | CA2TGFBR1CA1MMP2MMP9 | |
| SCHEMBL6976447 | 0.72 | GABRR1 (0.34) | CA2TGFBR1CA1MMP2MMP9 | |
| SCHEMBL7262653 | 0.70 | ITGB3 (0.52) | — | |
| SCHEMBL7262649 | 0.70 | ITGB3 (0.52) | — | |
| SCHEMBL22361443 | 0.68 | LMNA (0.31) | — | |
| SCHEMBL7406599 | 0.67 | ITGB3 (0.41) | TGFBR1 | |
| SCHEMBL12914613 | 0.65 | — | — |
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-1051625-A1 | ASSESSING RISK FOR INTEGRIN ANTAGONIST/AGONIST MEDIATED DISEASES | Du Pont Pharmaceuticals Company (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999038014-A1 | ASSESSING RISK FOR INTEGRIN ANTAGONIST/AGONIST MEDIATED DISEASES | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-07-29 | — | — | WO | disclosed |