Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 5/20 | 0.41 |
| ▸ | CTSA | P10619 | 5/20 | 0.41 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL7786241 | 0.90 | CTSA (0.46) | S1PR3CTSAITGB3ITGA2BS1PR4 | |
| SCHEMBL7194899 | 0.90 | ITGB3 (0.44) | CTSACYP26A1ITGB3ITGA2BMEN1 | |
| SCHEMBL7788749 | 0.89 | ITGB3 (0.44) | CTSAITGB3ITGA2BCA2MEN1 | |
| SCHEMBL7781206 | 0.89 | ITGB3 (0.42) | CTSAITGB3ITGA2BCA1MEN1 | |
| SCHEMBL7789969 | 0.88 | CYP26A1 (0.42) | CTSACYP26A1ITGB3ITGA2BALDH1A1 | |
| SCHEMBL7790178 | 0.88 | CTSA (0.41) | CTSACYP26A1ITGB3ITGA2BMEN1 | |
| SCHEMBL7790073 | 0.87 | CYP26A1 (0.46) | CTSACYP26A1ITGB3ITGA2BGPR139 | |
| SCHEMBL7781180 | 0.86 | EEF2K (0.46) | CTSAITGB3ITGA2B | |
| SCHEMBL7785658 | 0.85 | LMNA (0.44) | S1PR3CTSAITGB3ITGA2BCA2 | |
| SCHEMBL7785607 | 0.85 | LMNA (0.46) | S1PR3ITGB3GPR139MEN1KMT2A |
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 |