Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 16/20 | 0.45 |
| ▸ | ITGAV | P06756 | 16/20 | 0.45 |
| ▸ | ITGB6 | P18564 | 12/20 | 0.45 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.41 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.41 |
| ▸ | GPR139 | Q6DWJ6 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.40 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.40 |
| ▸ | ITGA8 | P53708 | 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 | |
|---|---|---|---|---|
| SCHEMBL7347223 | 0.92 | ITGB1 (0.41) | ITGB3ITGAVITGB6ITGB1ITGA5 | |
| SCHEMBL7836372 | 0.89 | ITGB3 (0.41) | ITGB3ITGAVITGB6ITGB1ITGA5 | |
| SCHEMBL7835253 | 0.88 | ITGB1 (0.42) | ITGB3ITGAVITGB6ITGB1ITGA5 | |
| SCHEMBL3051751 | 0.87 | GPR139 (0.44) | ITGB3ITGAVITGB6ITGB1ITGA5 | |
| SCHEMBL7835627 | 0.86 | ITGB1 (0.40) | ITGB3ITGAVITGB6ITGB1ITGA5 | |
| SCHEMBL6782093 | 0.85 | ITGB1 (0.41) | ITGB3ITGAVITGB6ITGB1ITGA5 | |
| SCHEMBL7339213 | 0.85 | MEN1 (0.46) | ITGB3ITGAVITGB6ITGB1ITGA5 | |
| SCHEMBL6772224 | 0.84 | CTSV (0.50) | ITGB3ITGAVITGB1ITGA5GPR139 | |
| SCHEMBL7831999 | 0.83 | ITGB3 (0.63) | ITGB3ITGAVITGB6ITGB1ITGA5 | |
| SCHEMBL7345869 | 0.83 | HTT (0.43) | ITGB3ITGAVITGB6ITGB1ITGA5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0850221-B1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | SEARLE & CO (US) | 2001-07-18 | — | — | EP | claimed |
| US-6831199-B1 | In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 | G. D. SEARLE & CO. | 2004-12-14 | — | — | US | disclosed |