Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.63 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.62 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.62 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.62 |
| ▸ | THRA | P10827 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.54 |
| ▸ | MYC | P01106 | 1/20 | 0.54 |
| ▸ | MAX | P61244 | 1/20 | 0.54 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.53 |
| ▸ | CASP6 | P55212 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL223553 | 0.96 | AKR1C3 (0.67) | PLA2G4BAKR1C3AKR1C2AKR1C1THRA | |
| SCHEMBL3574447 | 0.92 | AKR1C3 (0.58) | PLA2G4BAKR1C3AKR1C2AKR1C1HCAR3 | |
| SCHEMBL7696499 | 0.89 | PLA2G4B (0.77) | PLA2G4BTHRATHRBHCAR3ALDH1A1 | |
| SCHEMBL9626808 | 0.89 | PLA2G4B (0.77) | PLA2G4BTHRATHRBHCAR3ALDH1A1 | |
| SCHEMBL12431954 | 0.89 | PLA2G4B (0.77) | PLA2G4BTHRATHRBHCAR3ALDH1A1 | |
| SCHEMBL6870341 | 0.88 | AKR1C3 (0.56) | PLA2G4BAKR1C3AKR1C2AKR1C1THRA | |
| Hydrochloric Acid SCHEMBL9627735 | 0.88 | PLA2G4B (0.75) | PLA2G4BTHRATHRBHCAR3ALDH1A1 | |
| SCHEMBL27403163 | 0.88 | PLA2G4B (0.74) | PLA2G4BTHRATHRBHCAR3ALDH1A1 | |
| SCHEMBL3537490 | 0.86 | MAPT (0.62) | AKR1C3AKR1C2AKR1C1HCAR3TSHR | |
| SCHEMBL7824920 | 0.86 | AKR1C3 (0.57) | PLA2G4BAKR1C3AKR1C2AKR1C1THRA |
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-1091958-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001692-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2000-01-13 | — | — | WO | disclosed |