Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 15/20 | 0.37 |
| ▸ | ITGAV | P06756 | 15/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 11/20 | 0.37 |
| ▸ | ITGB5 | P18084 | 8/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.34 |
| ▸ | C3AR1 | Q16581 | 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 | |
|---|---|---|---|---|
| SCHEMBL28692098 | 0.86 | CCR5 (0.36) | ITGAV | |
| SCHEMBL30474545 | 0.85 | ITGB3 (0.53) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL28699772 | 0.85 | ITGB3 (0.53) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL28699770 | 0.85 | ITGB3 (0.53) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL29370436 | 0.79 | ITGAV (0.33) | ITGB3ITGAVITGB5ITGB1 | |
| SCHEMBL28696946 | 0.78 | CCR5 (0.39) | ITGB3ITGAVITGB5 | |
| SCHEMBL28709388 | 0.77 | ITGB3 (0.56) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL28709389 | 0.77 | ITGB3 (0.56) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL28698380 | 0.75 | KMT2A (0.40) | KDM1AMAOAMAOB | |
| SCHEMBL29370504 | 0.74 | LMNA (0.39) | ITGB3ITGAVITGA2BITGB5GRM7 |
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 |