Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 13/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 11/20 | 0.41 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.41 |
| ▸ | ITGB6 | P18564 | 12/20 | 0.38 |
| ▸ | ITGB8 | P26012 | 2/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | WDR5 | P61964 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28709236 | 0.91 | ITGB3 (0.37) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL28685987 | 0.87 | ITGAV (0.47) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL28699758 | 0.85 | ITGAV (0.56) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL28699760 | 0.82 | ITGAV (0.46) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL20140491 | 0.79 | ITGB3 (0.43) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL28699748 | 0.78 | ITGAV (0.35) | ITGAVITGB3ITGB5ITGB6ITGB1 | |
| SCHEMBL28696946 | 0.76 | CCR5 (0.39) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL28686054 | 0.76 | WDR5 (0.42) | WDR5 | |
| SCHEMBL27003291 | 0.75 | ITGB3 (0.40) | ITGAVITGB3ITGB5ITGB6ITGB8 | |
| SCHEMBL28699683 | 0.74 | ITGAV (0.33) | ITGAVITGB3ITGB5ITGB6ITGB8 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113354635-B | Pyrrolidine integrin regulator and application thereof | 清药同创(北京)药物研发中心有限公司 | 2023-04-18 | — | — | CN | disclosed |
| 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 |