Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 6/20 | 0.40 |
| ▸ | CTSK | P43235 | 5/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 3/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.38 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8168094 | 0.96 | KLK5 (0.49) | KLK5ITGB3ITGA2BCTSSCTSK | |
| SCHEMBL4201174 | 0.89 | KLK5 (0.43) | KLK5ITGB3ITGA2BCTSSCTSK | |
| SCHEMBL16644979 | 0.88 | KLK5 (0.45) | KLK5ITGB3ITGA2BCTSSCTSK | |
| SCHEMBL4197901 | 0.86 | KLK5 (0.46) | KLK5ITGB3ITGA2BCTSSCTSK | |
| SCHEMBL4074909 | 0.84 | CTSS (0.46) | KLK5ITGB3ITGA2BCTSSCTSK | |
| SCHEMBL8232460 | 0.84 | KLK5 (0.45) | KLK5ITGB3ITGA2BCTSSCTSK | |
| SCHEMBL16645014 | 0.84 | KLK5 (0.45) | KLK5ITGB3ITGA2BCTSSCTSK | |
| SCHEMBL6560965 | 0.84 | CTSS (0.46) | KLK5ITGB3ITGA2BCTSSCTSK | |
| SCHEMBL4067093 | 0.83 | KLK5 (0.42) | KLK5ITGB3ITGA2BCTSSCTSK | |
| SCHEMBL23963101 | 0.83 | PPARG (0.44) | KLK5ITGB3ITGA2BCTSSITGA4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008093065-A1 | L-ALANINE DERIVATIVES AS α5βL ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-08-07 | — | — | WO | disclosed |
| WO-2007141473-A1 | N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS | ASTRAZENECA AB (SE) | 2007-12-13 | — | — | WO | disclosed |