Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.39 |
| ▸ | ITGAV | P06756 | 2/20 | 0.39 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.39 |
| ▸ | ITGB6 | P18564 | 2/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7381193 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP2C19ITGB3ITGAV | |
| SCHEMBL6737615 | 0.90 | CYP3A4 (0.42) | CYP3A4ITGB3ITGA2BGAAALDH1A1 | |
| SCHEMBL7379559 | 0.90 | CYP3A4 (0.42) | CYP3A4ITGB3ITGA2BGAAALDH1A1 | |
| SCHEMBL6952526 | 0.85 | ITGB3 (0.43) | CYP3A4CYP2D6CYP2C19ITGB3ITGAV | |
| SCHEMBL7414742 | 0.85 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C19ITGB3ITGAV | |
| Hydrochloric Acid SCHEMBL7414735 | 0.84 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C19ITGB3ITGAV | |
| Hydrochloric Acid SCHEMBL7414738 | 0.84 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C19ITGB3ITGAV | |
| SCHEMBL6949822 | 0.83 | ITGB3 (0.44) | CYP3A4CYP2D6CYP2C19ITGB3ITGAV | |
| SCHEMBL8496788 | 0.80 | CYP3A4 (0.64) | CYP3A4MAPTFAAHHDAC3HDAC1 | |
| SCHEMBL3834572 | 0.79 | SYK (0.44) | CYP3A4CYP2D6CYP2C19GAAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6294549-B1 | COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. | MERCK & CO., INC. | 2001-09-25 | — | — | US | disclosed |
| EP-0880511-A4 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-06-16 | — | — | EP | disclosed |
| EP-0880511-A1 | INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997026250-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-07-24 | — | — | WO | disclosed |