Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10534396 | 0.86 | ALDH1A1 (0.50) | ALDH1A1MAPK1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL14873536 | 0.80 | AKR1B1 (0.44) | ALDH1A1CYP1A2PTGS2MEN1KMT2A | |
| SCHEMBL28587493 | 0.79 | ALDH1A1 (0.45) | ALDH1A1MAPK1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL9150657 | 0.79 | ALDH1A1 (0.45) | ALDH1A1MAPK1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL19753259 | 0.78 | PKM (0.47) | ALDH1A1MAPK1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL4576468 | 0.78 | SLC22A12 (0.50) | ALDH1A1MAPK1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL11229391 | 0.78 | ALDH1A1 (0.46) | ALDH1A1MAPK1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL29061284 | 0.78 | CYP3A4 (0.44) | ALDH1A1MAPK1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL4130159 | 0.76 | MAPT (0.40) | ALDH1A1MAPK1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL3465437 | 0.76 | CYP3A4 (0.43) | ALDH1A1MAPK1CYP3A4CYP1A2CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1314906-A | Salts of paroxetine | SMITHKLINE BEECHAM PLC (GB) | 2001-09-26 | — | — | CN | disclosed |
| 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 |