Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 8/20 | 0.35 |
| ▸ | ITGB6 | P18564 | 4/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.35 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | ITGA5 | P08648 | 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 | 0.83 | CCR5 (0.36) | ITGAVITGB6 | |
| SCHEMBL28690101 | 0.80 | ITGAV (0.37) | ITGAVITGB6ITGB3 | |
| SCHEMBL28690096 | 0.80 | ITGAV (0.37) | ITGAVITGB6ITGB3 | |
| SCHEMBL29370436 | 0.79 | ITGAV (0.33) | ITGAVITGB6ITGB3ITGB5ITGB1 | |
| SCHEMBL28698397 | 0.78 | ITGAV (0.41) | ITGAVITGB6ITGB3ITGB5ITGB1 | |
| SCHEMBL28708230 | 0.77 | ITGAV (0.40) | ITGAVITGB6SIGMAR1ITGB3CHRNB2 | |
| SCHEMBL28708228 | 0.77 | ITGAV (0.40) | ITGAVITGB6SIGMAR1ITGB3CHRNB2 | |
| SCHEMBL28690090 | 0.77 | OPRM1 (0.34) | ITGAVITGB6SIGMAR1OPRM1CHRNB2 | |
| SCHEMBL28984870 | 0.76 | ITGAV (0.55) | ITGAVITGB6ITGB3ITGB5ITGB1 | |
| SCHEMBL28709228 | 0.76 | ITGAV (0.55) | ITGAVITGB6ITGB3ITGB5ITGB1 |
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 |