Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 17/20 | 0.44 |
| ▸ | ITGAV | P06756 | 17/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 13/20 | 0.42 |
| ▸ | ITGA5 | P08648 | 13/20 | 0.42 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.42 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.37 |
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL852838 | 0.92 | ITGB3 (0.51) | ITGB3ITGAVITGB1ITGA5ITGB5 | |
| SCHEMBL853781 | 0.91 | ITGB3 (0.51) | ITGB3ITGAVITGB1ITGA5ITGB5 | |
| SCHEMBL853983 | 0.84 | ITGB3 (0.35) | ITGB3ITGAVMTNR1AMTNR1BCCKBR | |
| SCHEMBL853153 | 0.83 | ITGB3 (0.59) | ITGB3ITGAVITGB1ITGA5ITGB5 | |
| SCHEMBL852704 | 0.82 | ITGB3 (0.45) | ITGB3ITGAVITGB1ITGA5ITGB5 | |
| SCHEMBL852538 | 0.81 | ITGB3 (0.47) | ITGB3ITGAVITGB1ITGA5ITGB5 | |
| SCHEMBL852473 | 0.80 | ITGB3 (0.52) | ITGB3ITGAVITGB1ITGA5ITGB5 | |
| SCHEMBL5734408 | 0.77 | ITGB3 (0.61) | ITGB3ITGAVITGB1ITGA5ITGB5 | |
| SCHEMBL2492345 | 0.77 | ITGB3 (0.57) | ITGB3ITGAVITGB1ITGA5ITGB5 | |
| SCHEMBL853586 | 0.77 | ITGB3 (0.55) | ITGB3ITGAVITGB1ITGA5ITGB5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1425010-B8 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | JANSSEN PHARMACEUTICALS INC (US) | 2012-03-28 | — | — | EP | disclosed |
| EP-1425010-A4 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | ORTHO MCNEIL PHARM INC (US) | 2009-07-29 | — | — | EP | disclosed |
| EP-1425010-A1 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2004-06-09 | — | — | EP | disclosed |
| WO-2002060438-A1 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2002-08-08 | — | — | WO | disclosed |