Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.37 |
| ▸ | ITGAV | P06756 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7415180 | 0.94 | CYP3A4 (0.45) | CYP3A4CYP2C19ITGB3ITGA2BITGAV | |
| SCHEMBL7414783 | 0.92 | CYP3A4 (0.43) | CYP3A4CYP2C19KMT2AITGB3ITGA2B | |
| SCHEMBL7418892 | 0.92 | CYP3A4 (0.43) | CYP3A4CYP2C19KMT2AITGB3ITGA2B | |
| SCHEMBL7410416 | 0.92 | L3MBTL1 (0.41) | CYP3A4CYP2C19F2KMT2AITGB3 | |
| Trifluoroacetic Acid SCHEMBL7419764 | 0.90 | CYP3A4 (0.47) | CYP3A4CYP2C19F2KMT2AITGB3 | |
| SCHEMBL7416867 | 0.88 | NPSR1 (0.40) | CYP3A4CYP2C19F2KMT2AITGB3 | |
| SCHEMBL7695352 | 0.87 | ITGB3 (0.49) | CYP3A4CYP2C19F2KMT2AITGB3 | |
| SCHEMBL7422540 | 0.87 | ITGB3 (0.42) | ITGB3ITGA2BITGAVITGB1ITGA5 | |
| SCHEMBL7416574 | 0.86 | ITGB3 (0.45) | F2ITGB3ITGA2BITGAVITGB1 | |
| SCHEMBL7412260 | 0.86 | AVPR1A (0.45) | — |
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 |