Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.38 |
| ▸ | PGR | P06401 | 4/20 | 0.38 |
| ▸ | OXTR | P30559 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4714471 | 0.86 | OXTR (0.38) | CYP2D6CYP2C9PGROXTRACKR3 | |
| SCHEMBL4714369 | 0.82 | OPRM1 (0.42) | P2RX7PTGDR2KDM4EMEN1ALDH1A1 | |
| SCHEMBL4713873 | 0.79 | HRH3 (0.38) | CYP2D6CYP2C9PGRSMN1; SMN2MEN1 | |
| SCHEMBL4714391 | 0.74 | SMN1; SMN2 (0.44) | CYP2D6CYP2C9SLC6A2SLC6A4P2RX7 | |
| SCHEMBL4710667 | 0.72 | OPRM1 (0.38) | OXTRKDM4EALDH1A1HPGD | |
| SCHEMBL4716542 | 0.72 | LMNA (0.41) | CYP2D6CYP2C9PGRALDH1A1CYP3A4 | |
| SCHEMBL3314490 | 0.72 | DPP4 (0.44) | CYP2D6CYP2C9PGROXTRSLC6A2 | |
| SCHEMBL4713689 | 0.69 | SMN1; SMN2 (0.38) | SMN1; SMN2CYP2C19ALDH1A1HPGD | |
| SCHEMBL5761252 | 0.69 | SLC6A2 (0.46) | CYP2D6CYP2C9PGRSLC6A2SLC6A4 | |
| SCHEMBL4716572 | 0.68 | SLC6A2 (0.41) | CYP2D6CYP2C9SLC6A2SLC6A4P2RX7 |
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-1933830-A1 | ANTAGONISTS OF SNS SODIUM CHANNELS | Vernalis (R&D) Limited (GB) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007007057-A1 | ANTAGONISTS OF SNS SODIUM CHANNELS | VERNALIS (R & D) LIMITED (GB) | 2007-01-18 | — | — | WO | disclosed |