Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | MME | P08473 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7826083 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2C9FOLH1AKR1C3DHODH | |
| SCHEMBL781849 | 0.84 | CYP3A4 (0.63) | CYP3A4CYP2C9AKR1C3RECQLTSHR | |
| SCHEMBL4327979 | 0.84 | CYP3A4 (0.63) | CYP3A4CYP2C9AKR1C3RECQLTSHR | |
| SCHEMBL8041928 | 0.84 | CYP3A4 (0.63) | CYP3A4CYP2C9AKR1C3RECQLTSHR | |
| SCHEMBL445508 | 0.80 | FOLH1 (0.59) | CYP2C9FOLH1AKR1C3TSHRALDH1A1 | |
| SCHEMBL30565103 | 0.80 | FOLH1 (0.59) | CYP2C9FOLH1AKR1C3TSHRALDH1A1 | |
| SCHEMBL7826088 | 0.79 | KMT2A (0.40) | CYP3A4CYP2C9AKR1C3DHODHTRPM8 | |
| Hydrochloric Acid SCHEMBL3312470 | 0.79 | FOLH1 (0.57) | CYP2C9FOLH1AKR1C3TSHRALDH1A1 | |
| SCHEMBL8865055 | 0.74 | TP53 (0.59) | CYP3A4CYP2C9AKR1C3RECQLTSHR | |
| SCHEMBL8865069 | 0.74 | TP53 (0.59) | CYP3A4CYP2C9AKR1C3RECQLTSHR |
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 |