Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 13/20 | 0.37 |
| ▸ | ITGAV | P06756 | 13/20 | 0.37 |
| ▸ | ITGB6 | P18564 | 12/20 | 0.37 |
| ▸ | ITGB5 | P18084 | 5/20 | 0.37 |
| ▸ | ITGB8 | P26012 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.33 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29369724 | 0.94 | LMNA (0.40) | ITGB3ITGAVITGB6ITGB5ITGB8 | |
| SCHEMBL29390969 | 0.91 | ITGAV (0.34) | ITGB3ITGAVITGB6ITGB5ITGB8 | |
| SCHEMBL29393359 | 0.85 | LMNA (0.37) | ITGB3ITGAVITGB6ITGB5ITGB8 | |
| SCHEMBL28694811 | 0.84 | ITGB3 (0.36) | ITGB3ITGAVITGB6ITGB5ITGB8 | |
| SCHEMBL29370042 | 0.84 | ITGB3 (0.36) | ITGB3ITGAVITGB6ITGB5ITGB8 | |
| SCHEMBL29370504 | 0.82 | LMNA (0.39) | ITGB3ITGAVITGB6ITGB5ITGB8 | |
| SCHEMBL20141284 | 0.82 | ITGAV (0.45) | ITGB3ITGAVITGB6ITGB5ITGB8 | |
| SCHEMBL29369651 | 0.74 | ITGB3 (0.66) | ITGB3ITGAVITGB6ITGB5ITGB8 | |
| SCHEMBL29369797 | 0.74 | HRH3 (0.35) | ITGB3ITGAVITGB6ITGB5ITGB1 | |
| SCHEMBL29369631 | 0.74 | ITGB3 (0.43) | ITGB3ITGAVITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022022364-A1 | PYRROLIDINE INTEGRIN MODULATOR AND USE THEREOF | 清药同创(北京)药物研发中心有限公司 | 2022-02-03 | — | — | WO | disclosed |