Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.40 |
| ▸ | ITGAV | P06756 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.39 |
| ▸ | ITGB6 | P18564 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7414738 | 0.99 | CYP3A4 (0.46) | CYP3A4ITGB3ITGA2BITGAVGAA | |
| Hydrochloric Acid SCHEMBL7414735 | 0.99 | CYP3A4 (0.46) | CYP3A4ITGB3ITGA2BITGAVGAA | |
| SCHEMBL6952526 | 0.87 | ITGB3 (0.43) | CYP3A4ITGB3ITGA2BITGAVGAA | |
| SCHEMBL6949822 | 0.87 | ITGB3 (0.44) | CYP3A4ITGB3ITGA2BITGAVGAA | |
| SCHEMBL7381193 | 0.85 | CYP3A4 (0.55) | CYP3A4ITGB3ITGA2BITGAVGAA | |
| SCHEMBL7381192 | 0.85 | CYP3A4 (0.55) | CYP3A4ITGB3ITGA2BITGAVGAA | |
| SCHEMBL7373638 | 0.83 | ITGB3 (0.44) | ITGB3ITGA2BITGAVGAAROCK2 | |
| SCHEMBL6739002 | 0.83 | ITGB3 (0.44) | ITGB3ITGA2BITGAVGAAROCK2 | |
| Hydrochloric Acid SCHEMBL7138528 | 0.82 | ITGB3 (0.44) | ITGB3ITGA2BITGAVGAAROCK2 | |
| Hydrochloric Acid SCHEMBL7991653 | 0.82 | ITGB3 (0.44) | ITGB3ITGA2BITGAVGAAROCK2 |
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 |