Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 15/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 13/20 | 0.45 |
| ▸ | ITGAV | P06756 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7412288 | 0.96 | ITGB3 (0.48) | CYP3A4CYP2C19ITGB3ITGA2BITGAV | |
| Trifluoroacetic Acid SCHEMBL7415172 | 0.93 | ITGB3 (0.50) | CYP3A4CYP2C19ITGB3ITGA2BITGAV | |
| Trifluoroacetic Acid SCHEMBL7419764 | 0.91 | CYP3A4 (0.47) | CYP3A4CYP2C19ITGB3ITGA2BITGAV | |
| Trifluoroacetic Acid SCHEMBL7418891 | 0.91 | ITGB3 (0.49) | CYP3A4CYP2C19ITGB3ITGA2BITGAV | |
| SCHEMBL7414783 | 0.90 | CYP3A4 (0.43) | CYP3A4CYP2C19ITGB3ITGA2BITGAV | |
| Trifluoroacetic Acid SCHEMBL7412868 | 0.89 | ITGB3 (0.47) | ITGB3ITGA2BITGAVMEN1KMT2A | |
| SCHEMBL7421961 | 0.89 | ITGB3 (0.53) | CYP3A4CYP2C19ITGB3ITGA2BITGAV | |
| Trifluoroacetic Acid SCHEMBL7417977 | 0.88 | ITGB3 (0.46) | ITGB3ITGA2BITGAVMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL7416198 | 0.88 | ITGB3 (0.43) | ITGB3ITGA2BITGAVMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL7416863 | 0.87 | ITGB3 (0.48) | ITGB3ITGA2BITGAVPPARGMMP2 |
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 | disclosed |
| EP-1159262-A1 | TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000047552-A1 | TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-08-17 | — | — | WO | disclosed |