Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 11/20 | 0.34 |
| ▸ | ITGAV | P06756 | 11/20 | 0.34 |
| ▸ | ITGB6 | P18564 | 9/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29797200 | 0.92 | PTPRB (0.32) | ITGB3ITGAVITGB6ITGA2BGAA | |
| SCHEMBL20153398 | 0.92 | PTPRB (0.32) | ITGB3ITGAVITGB6ITGA2BGAA | |
| SCHEMBL20140236 | 0.84 | ITGAV (0.48) | ITGB3ITGAVITGB6ITGA2B | |
| SCHEMBL21294594 | 0.76 | ITGB3 (0.54) | ITGB3ITGAVITGB6ITGA2B | |
| SCHEMBL20139771 | 0.76 | ITGB3 (0.54) | ITGB3ITGAVITGB6ITGA2B | |
| SCHEMBL20139769 | 0.76 | ITGB3 (0.54) | ITGB3ITGAVITGB6ITGA2B | |
| SCHEMBL21329619 | 0.76 | BRD4 (0.39) | ITGAVITGB6GAAMAPK1 | |
| SCHEMBL20141485 | 0.74 | ALDH1A1 (0.36) | ITGB3ITGAVITGB6ITGA2BGAA | |
| SCHEMBL20141482 | 0.74 | ALDH1A1 (0.36) | ITGB3ITGAVITGB6ITGA2BGAA | |
| SCHEMBL20140313 | 0.74 | NOTUM (0.40) | GAAMAPK1ALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110167935-B | 3-substituted propionic acids as alpha V integrin inhibitors | 百时美施贵宝公司 | 2022-05-27 | — | — | CN | disclosed |
| EP-3538525-A1 | 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS | Bristol-Myers Squibb Company (US) | 2019-09-18 | — | — | EP | disclosed |
| WO-2018089353-A1 | 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |