Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.34 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7788768 | 0.91 | ATM (0.40) | ALDH1A1ITGB3ITGA2BCYP26A1POLB | |
| SCHEMBL7788746 | 0.90 | SMN1; SMN2 (0.40) | ALDH1A1ITGB3ITGA2BCYP26A1POLB | |
| SCHEMBL7194899 | 0.83 | ITGB3 (0.44) | ALDH1A1ITGB3ITGA2BCYP26A1CTSA | |
| SCHEMBL7191718 | 0.82 | ALDH1A1 (0.36) | ALDH1A1ITGB3ITGA2BCYP26A1POLB | |
| SCHEMBL7789969 | 0.81 | CYP26A1 (0.42) | ALDH1A1ITGB3ITGA2BCYP26A1CTSA | |
| SCHEMBL7788304 | 0.81 | ITGB3 (0.42) | ITGB3ITGA2BPOLBCTSATP53 | |
| SCHEMBL7785658 | 0.81 | LMNA (0.44) | ALDH1A1ITGB3ITGA2BCTSAHCRTR1 | |
| SCHEMBL7785607 | 0.81 | LMNA (0.46) | ALDH1A1ITGB3KAT6A | |
| SCHEMBL7790073 | 0.81 | CYP26A1 (0.46) | ALDH1A1ITGB3ITGA2BCYP26A1CTSA | |
| SCHEMBL7781206 | 0.80 | ITGB3 (0.42) | ITGB3ITGA2BCTSA |
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 |