Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 20/20 | 0.52 |
| ▸ | ITGAV | P06756 | 11/20 | 0.52 |
| ▸ | ITGA2B | P08514 | 14/20 | 0.42 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.39 |
| ▸ | ITGA5 | P08648 | 2/20 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7590565 | 0.85 | ITGB3 (0.38) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL7596092 | 0.83 | ITGB3 (0.54) | ITGB3ITGAVITGA2B | |
| Trifluoroacetic Acid SCHEMBL6424346 | 0.75 | ITGAV (0.91) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| Trifluoroacetic Acid SCHEMBL6421732 | 0.75 | ITGAV (0.91) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL7596227 | 0.70 | ITGAV (0.54) | ITGB3ITGAVITGA2B | |
| SCHEMBL7596670 | 0.69 | ITGAV (0.55) | ITGB3ITGAV | |
| Hydrochloric Acid SCHEMBL7594982 | 0.68 | ITGAV (0.53) | ITGB3ITGAV | |
| SCHEMBL7591941 | 0.68 | ITGB3 (0.55) | ITGB3ITGAVITGA2B | |
| Trifluoroacetic Acid SCHEMBL6466536 | 0.67 | ITGB3 (0.76) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| Trifluoroacetic Acid SCHEMBL7590548 | 0.67 | ITGB3 (0.46) | ITGB3ITGAVITGA2BITGB5ITGB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1040098-A1 | INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-10-04 | — | — | EP | claimed |
| WO-1999031061-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1999-06-24 | — | — | WO | claimed |
| EP-1040098-A1 | INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-10-04 | — | — | EP | disclosed |
| WO-1999031061-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1999-06-24 | — | — | WO | disclosed |