Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | USP2 | O75604 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9359089 | 0.84 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL3315239 | 0.82 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL1221665 | 0.80 | NPSR1 (0.54) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL3297346 | 0.78 | OPRL1 (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1221046 | 0.77 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL71724 | 0.75 | NPSR1 (0.57) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL6206565 | 0.75 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 | |
| Hydrochloric Acid SCHEMBL31740601 | 0.75 | NPSR1 (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL8941983 | 0.75 | NPSR1 (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL30713504 | 0.75 | NPSR1 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008041090-A1 | MALANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONIST PYRIDINONES | PFIZER LIMITED (GB) | 2008-04-10 | — | — | WO | disclosed |