Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 7/20 | 0.45 |
| ▸ | CA2 | P00918 | 7/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGAV | P06756 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13715863 | 0.89 | PKM (0.46) | PKMCA1CA2F2F10 | |
| SCHEMBL7856452 | 0.87 | PKM (0.43) | PKMCA1CA2F2F10 | |
| SCHEMBL7856455 | 0.87 | PKM (0.43) | PKMCA1CA2F2F10 | |
| SCHEMBL7862046 | 0.86 | ITGB3 (0.45) | PKMCA1CA2F2F10 | |
| SCHEMBL7864636 | 0.86 | PKM (0.41) | PKMCA1CA2F2F10 | |
| SCHEMBL7191727 | 0.83 | ITGB3 (0.46) | PKMCA1CA2F2F10 | |
| SCHEMBL6366667 | 0.82 | ITGB3 (0.60) | PKMCA1CA2ITGB3ITGAV | |
| SCHEMBL7788773 | 0.82 | ITGB3 (0.42) | PKMCA1CA2F2F10 | |
| SCHEMBL7856528 | 0.82 | MEN1 (0.43) | PKMCA1CA2ITGB3ITGAV | |
| SCHEMBL7863164 | 0.82 | MEN1 (0.43) | PKMCA1CA2ITGB3ITGAV |
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-0889877-B1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | SEARLE & CO (US) | 2001-08-29 | — | — | EP | claimed |
| EP-0889877-B1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | SEARLE & CO (US) | 2001-08-29 | — | — | EP | disclosed |