Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 3/20 | 0.42 |
| ▸ | CTSA | P10619 | 4/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7194899 | 0.94 | ITGB3 (0.44) | CYP26A1CTSAITGB3ITGA2BALDH1A1 | |
| SCHEMBL7790073 | 0.92 | CYP26A1 (0.46) | CYP26A1CTSAITGB3ITGA2BALDH1A1 | |
| SCHEMBL7781206 | 0.92 | ITGB3 (0.42) | CTSAITGB3ITGA2BMAPTF10 | |
| SCHEMBL7790178 | 0.91 | CTSA (0.41) | CYP26A1CTSAITGB3ITGA2BMAPT | |
| SCHEMBL7785658 | 0.91 | LMNA (0.44) | CTSAITGB3ITGA2BALDH1A1SMN1; SMN2 | |
| SCHEMBL7781180 | 0.90 | EEF2K (0.46) | CTSAITGB3ITGA2BF10 | |
| SCHEMBL7788749 | 0.89 | ITGB3 (0.44) | CTSAITGB3ITGA2BSMN1; SMN2MAPT | |
| SCHEMBL7786214 | 0.88 | S1PR3 (0.41) | CYP26A1CTSAITGB3ITGA2BALDH1A1 | |
| SCHEMBL7785607 | 0.87 | LMNA (0.46) | ITGB3ALDH1A1SMN1; SMN2GAAMAPT | |
| SCHEMBL7786241 | 0.87 | CTSA (0.46) | CTSAITGB3ITGA2BALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1147079-A2 | BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS | Bayer Aktiengesellschaft (DE) | 2001-10-24 | — | — | EP | disclosed |
| WO-2000041469-A2 | β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-07-20 | — | — | WO | disclosed |