Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 10/20 | 0.37 |
| ▸ | ITGAV | P06756 | 10/20 | 0.37 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.37 |
| ▸ | ITGB6 | P18564 | 9/20 | 0.35 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.35 |
| ▸ | STS | P08842 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 2/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28698397 | 0.91 | ITGAV (0.41) | ITGB3ITGAVITGB5ITGB6ITGB8 | |
| SCHEMBL28690115 | 0.82 | ITGAV (0.48) | ITGB3ITGAVITGB5ITGB6ITGB8 | |
| SCHEMBL28690112 | 0.82 | ITGAV (0.48) | ITGB3ITGAVITGB5ITGB6ITGB8 | |
| SCHEMBL28699758 | 0.82 | ITGAV (0.56) | ITGB3ITGAVITGB5ITGB6ITGB8 | |
| SCHEMBL29702194 | 0.80 | ITGB3 (0.40) | ITGB3ITGAVITGB5ITGB6ITGB8 | |
| SCHEMBL20158343 | 0.80 | ITGB3 (0.40) | ITGB3ITGAVITGB5ITGB6ITGB8 | |
| SCHEMBL28685987 | 0.79 | ITGAV (0.47) | ITGB3ITGAVITGB5ITGB6ITGB8 | |
| SCHEMBL28699743 | 0.78 | STS (0.49) | STSTP53MAPK1 | |
| SCHEMBL30474573 | 0.78 | CCR5 (0.36) | ITGB3ITGAVITGB5ITGB6ITGB8 | |
| SCHEMBL27406312 | 0.77 | PRMT5 (0.39) | ITGAVITGB6CCR5 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |