Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 18/20 | 0.49 |
| ▸ | ITGB1 | P05556 | 18/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGAV | P06756 | 1/20 | 0.42 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.41 |
| ▸ | ITGA2 | P17301 | 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 | |
|---|---|---|---|---|
| SCHEMBL4735069 | 0.91 | ITGB1 (0.41) | ITGA4ITGB1ITGB3ITGAVITGA5 | |
| SCHEMBL4735360 | 0.86 | ITGA4 (0.62) | ITGA4ITGB1ITGB3ITGAVITGA5 | |
| SCHEMBL4733396 | 0.80 | KLK5 (0.41) | ITGB1ITGB3ITGAV | |
| SCHEMBL4736051 | 0.78 | ITGB1 (0.54) | ITGA4ITGB1ITGB3ITGAVITGA5 | |
| SCHEMBL7428016 | 0.76 | ITGA4 (0.58) | ITGA4ITGB1ITGB3ITGAVITGA5 | |
| SCHEMBL5366913 | 0.75 | ITGB1 (0.54) | ITGA4ITGB1 | |
| Hydrochloric Acid SCHEMBL6510331 | 0.75 | ITGA4 (0.57) | ITGA4ITGB1ITGB3ITGAVITGA5 | |
| SCHEMBL4736663 | 0.74 | ITGB1 (0.44) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL7538523 | 0.74 | ITGB1 (0.59) | ITGA4ITGB1ITGA5ITGB7ITGA2 | |
| SCHEMBL4786565 | 0.73 | ITGA4 (0.58) | ITGA4ITGB1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008064823-A1 | BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES | UCB PHARMA, S.A. (BE) | 2008-06-05 | — | — | WO | claimed |
| WO-2008064823-A1 | BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES | UCB PHARMA, S.A. (BE) | 2008-06-05 | — | — | WO | disclosed |