Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 20/20 | 0.53 |
| ▸ | ITGAV | P06756 | 20/20 | 0.53 |
| ▸ | ITGA2B | P08514 | 14/20 | 0.53 |
| ▸ | ITGB5 | P18084 | 11/20 | 0.52 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28699772 | 1.00 | ITGB3 (0.53) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL30474545 | 1.00 | ITGB3 (0.53) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL28709389 | 0.92 | ITGB3 (0.56) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL28709388 | 0.92 | ITGB3 (0.56) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL28708231 | 0.85 | ITGB3 (0.37) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL28985330 | 0.81 | ITGAV (0.51) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL28708223 | 0.78 | ITGAV (0.52) | ITGB3ITGAVITGB5ITGB1 | |
| SCHEMBL28708225 | 0.78 | ITGAV (0.52) | ITGB3ITGAVITGB5ITGB1 | |
| SCHEMBL2907063 | 0.77 | ITGB3 (0.73) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| Trifluoroacetic Acid SCHEMBL29393315 | 0.75 | ITGAV (0.47) | ITGB3ITGAVITGB5ITGB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113354635-A | Pyrrolidine integrin regulator and application thereof | 清药同创(北京)药物研发中心有限公司 | 2021-09-07 | — | — | CN | disclosed |