Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 14/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 11/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ITGAV | P06756 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 SCHEMBL7414775 | 0.96 | CYP3A4 (0.47) | ITGB3ITGA2BCYP3A4CYP2C19ITGAV | |
| SCHEMBL7421961 | 0.92 | ITGB3 (0.53) | ITGB3ITGA2BCYP3A4CYP2C19ITGAV | |
| SCHEMBL7695352 | 0.91 | ITGB3 (0.49) | ITGB3ITGA2BCYP3A4CYP2C19ITGAV | |
| SCHEMBL7411729 | 0.90 | ITGB3 (0.53) | ITGB3ITGA2BCYP3A4CYP2C19ITGAV | |
| Trifluoroacetic Acid SCHEMBL7415172 | 0.88 | ITGB3 (0.50) | ITGB3ITGA2BCYP3A4CYP2C19ITGAV | |
| SCHEMBL7414225 | 0.88 | ITGB3 (0.50) | ITGB3ITGA2BMEN1KMT2APPARG | |
| SCHEMBL7414783 | 0.88 | CYP3A4 (0.43) | ITGB3ITGA2BCYP3A4CYP2C19ITGAV | |
| SCHEMBL7695459 | 0.87 | ITGB3 (0.49) | ITGB3ITGA2BITGAVMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL7419764 | 0.87 | CYP3A4 (0.47) | ITGB3ITGA2BCYP3A4CYP2C19ITGAV | |
| Trifluoroacetic Acid SCHEMBL7418891 | 0.86 | ITGB3 (0.49) | ITGB3ITGA2BCYP3A4CYP2C19ITGAV |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6344484-B1 | TREATMENT OF TUMOR GROWTH, METASTASIS, OSTEOPOROSIS, RESTENOSIS, INFLAMMATION, MACULAR DEGENERATION, DIABETIC RETINOPATHY, AND RHEUMATOID ARTHRITIS | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-02-05 | — | — | US | claimed |
| EP-1159262-A1 | TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-12-05 | — | — | EP | claimed |
| WO-2000047552-A1 | TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-08-17 | — | — | WO | claimed |