Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 1/20 | 0.45 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 13/20 | 0.43 |
| ▸ | ITGAV | P06756 | 13/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | ITGB5 | P18084 | 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 | |
|---|---|---|---|---|
| SCHEMBL7540177 | 0.80 | ITGAV (0.43) | ITGB3ITGAVITGA2B | |
| SCHEMBL7542370 | 0.79 | BCHE (0.43) | ITGB1ITGA5ITGB3ITGAVBCHE | |
| SCHEMBL3048231 | 0.78 | ITGB3 (0.45) | ITGB1ITGA5PTPN1ITGB3ITGAV | |
| SCHEMBL5204539 | 0.71 | ITGB3 (0.41) | ITGB1ITGA5PTPN1ITGB3ITGAV | |
| SCHEMBL8657006 | 0.69 | ACE (0.60) | ITGB1PTPN1ITGB3ITGAVITGA2B | |
| SCHEMBL11032508 | 0.69 | ACE (0.60) | ITGB1PTPN1ITGB3ITGAVITGA2B | |
| SCHEMBL1712913 | 0.68 | ACE (0.53) | ITGB3ITGAVITGA2B | |
| SCHEMBL1712911 | 0.68 | ACE (0.53) | ITGB3ITGAVITGA2B | |
| SCHEMBL14431792 | 0.66 | BCHE (0.37) | ITGB1ITGA5ITGB3ITGAVBCHE | |
| SCHEMBL31370428 | 0.65 | PTPN1 (0.49) | PTPN1 |
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-1208088-A2 | FLUORENE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GmbH (DE) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001010841-A2 | FLUORENE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2001-02-15 | — | — | WO | disclosed |