Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.49 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.49 |
| ▸ | ITGAV | P06756 | 2/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 6/20 | 0.40 |
| ▸ | CTSK | P43235 | 6/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 4/20 | 0.36 |
| ▸ | PPARG | P37231 | 3/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.35 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4064751 | 0.93 | ITGAV (0.42) | ITGB1ITGA5ITGAVITGB3CTSS | |
| SCHEMBL4940782 | 0.83 | PTPN1 (0.39) | ITGB1ITGA5ITGAVITGB3CTSS | |
| SCHEMBL4940785 | 0.83 | PTPN1 (0.39) | ITGB1ITGA5ITGAVITGB3CTSS | |
| SCHEMBL4074572 | 0.80 | KLK5 (0.44) | ITGB1ITGA5ITGB3CTSSCTSK | |
| SCHEMBL4788504 | 0.78 | ITGAV (0.46) | ITGB1ITGA5ITGAVITGB3CTSS | |
| SCHEMBL8228529 | 0.78 | KLK5 (0.44) | ITGB1ITGA5ITGB3CTSSCTSK | |
| SCHEMBL4067205 | 0.78 | KLK5 (0.44) | ITGB1ITGA5ITGB3CTSSCTSK | |
| SCHEMBL4070076 | 0.77 | KLK5 (0.35) | CTSSCTSKPTPN1SCN9ACTSL | |
| SCHEMBL4070078 | 0.77 | KLK5 (0.35) | CTSSCTSKPTPN1SCN9ACTSL | |
| SCHEMBL4069200 | 0.76 | ITGB1 (0.43) | ITGB1ITGA5ITGB3CTSSCTSK |
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-2008125811-A1 | N-[HETEROARYLCARBONYL]-S-THIENYL-L-ALANINE DERIVATIVES AS α5β1 ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-10-23 | — | — | WO | disclosed |