Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 10/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 9/20 | 0.38 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.33 |
| ▸ | ITGAV | P06756 | 1/20 | 0.33 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 3/20 | 0.33 |
| ▸ | TMPRSS6 | Q8IU80 | 3/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7410416 | 0.93 | L3MBTL1 (0.41) | CYP3A4CYP2C19ITGB3ITGA2BL3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL7413938 | 0.90 | ITGB3 (0.47) | CYP3A4CYP2C19ITGB3ITGA2BL3MBTL1 | |
| SCHEMBL7415446 | 0.90 | ITGB3 (0.39) | CYP3A4CYP2C19ITGB3ITGA2BITGAV | |
| SCHEMBL7418351 | 0.89 | TYMS (0.37) | ITGB3ITGA2BL3MBTL1ITGA4PPARG | |
| SCHEMBL7408394 | 0.88 | ITGB3 (0.37) | CYP3A4CYP2C19ITGB3ITGA2BITGB1 | |
| SCHEMBL7413005 | 0.88 | ITGB3 (0.50) | CYP3A4CYP2C19ITGB3ITGA2BL3MBTL1 | |
| SCHEMBL7699209 | 0.87 | F2 (0.42) | ITGB3ITGA2BL3MBTL1F2TMPRSS6 | |
| SCHEMBL7412871 | 0.87 | MEN1 (0.40) | CYP3A4CYP2C19ITGB3ITGA2BITGB1 | |
| SCHEMBL7415207 | 0.87 | ITGB3 (0.50) | ITGB3ITGA2BITGAVF2TMPRSS6 | |
| SCHEMBL7422540 | 0.86 | ITGB3 (0.42) | ITGB3ITGA2BITGB1ITGAVITGA5 |
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 |