Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18075917 | 0.88 | CYP2D6 (0.55) | CYP2D6CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL17101274 | 0.86 | CYP2D6 (0.51) | CYP2D6CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL11394628 | 0.84 | CYP2D6 (0.56) | CYP2D6CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL17101375 | 0.80 | ALDH1A1 (0.52) | CYP2D6CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL11374272 | 0.80 | CYP2D6 (0.53) | CYP2D6CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL2953304 | 0.78 | CYP2D6 (0.55) | CYP2D6CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6530831 | 0.77 | CYP2D6 (0.66) | CYP2D6CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL1290759 | 0.76 | CYP3A4 (0.65) | CYP2D6CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL2817086 | 0.76 | CYP2D6 (0.67) | CYP2D6CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL4123527 | 0.75 | SIGMAR1 (0.58) | CYP2D6CYP3A4CYP2C9CYP2C19LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3119396-B1 | MUSCARINIC RECEPTOR AGONISTS | HEPTARES THERAPEUTICS LTD (GB) | 2021-05-05 | — | — | EP | disclosed |