Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23778348 | 0.94 | CYP2D6 (0.53) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL23778300 | 0.89 | CYP2D6 (0.50) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL20066075 | 0.86 | CYP2D6 (0.50) | CYP2D6KDM1AMEN1KMT2ACHRM4 | |
| SCHEMBL23778458 | 0.85 | CYP2D6 (0.53) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL20066079 | 0.83 | CYP2D6 (0.49) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL24609054 | 0.81 | CYP2D6 (0.47) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL23798654 | 0.79 | OPRL1 (0.56) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL23778235 | 0.79 | CYP2D6 (0.54) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL20066074 | 0.79 | CYP2D6 (0.47) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL23778329 | 0.78 | CYP2D6 (0.58) | CYP2D6CA12CA1CA2CA9 |
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-3526207-B1 | HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. | HEPTARES THERAPEUTICS LTD (GB) | 2021-09-08 | — | — | EP | claimed |