Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 10/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | ITGAV | P06756 | 5/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7571394 | 0.90 | ITGB3 (0.40) | ITGB3ITGA2BITGAV | |
| SCHEMBL7587020 | 0.82 | PKM (0.33) | CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7009188 | 0.72 | ITGB3 (0.57) | ITGB3ITGA2BITGAV | |
| SCHEMBL7009184 | 0.72 | ITGB3 (0.57) | ITGB3ITGA2BITGAV | |
| SCHEMBL7565119 | 0.71 | ROCK2 (0.34) | ROCK2ITGB3ITGA2BKCNA5ITGAV | |
| SCHEMBL6739002 | 0.68 | ITGB3 (0.44) | ROCK2ITGB3ITGA2BKCNA5ITGAV | |
| SCHEMBL7373638 | 0.68 | ITGB3 (0.44) | ROCK2ITGB3ITGA2BKCNA5ITGAV | |
| Hydrochloric Acid SCHEMBL7991649 | 0.67 | ITGB3 (0.44) | ROCK2ITGB3ITGA2BKCNA5ITGAV | |
| Hydrochloric Acid SCHEMBL7138528 | 0.67 | ITGB3 (0.44) | ROCK2ITGB3ITGA2BKCNA5ITGAV | |
| Hydrochloric Acid SCHEMBL7991653 | 0.67 | ITGB3 (0.44) | ROCK2ITGB3ITGA2BKCNA5ITGAV |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946165-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | claimed |
| EP-0946165-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-10-06 | — | — | EP | claimed |
| WO-1998018460-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-05-07 | — | — | WO | claimed |
| EP-0946165-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-0946165-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998018460-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-05-07 | — | — | WO | disclosed |