Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23799165 | 0.92 | CYP2D6 (0.49) | CYP2D6KDM1AOPRL1OPRM1OPRD1 | |
| SCHEMBL23778261 | 0.82 | CYP2D6 (0.53) | CYP2D6KDM1AOPRM1OPRD1CA12 | |
| SCHEMBL20066002 | 0.81 | CYP2D6 (0.50) | CYP2D6KDM1AOPRD1HRH3HSD11B1 | |
| SCHEMBL20066001 | 0.81 | CYP2D6 (0.50) | CYP2D6KDM1AOPRD1HRH3HSD11B1 | |
| SCHEMBL23798665 | 0.80 | CYP2D6 (0.53) | CYP2D6KDM1AOPRL1OPRM1OPRD1 | |
| SCHEMBL23798654 | 0.78 | OPRL1 (0.56) | CYP2D6KDM1AOPRL1OPRM1OPRD1 | |
| SCHEMBL9435664 | 0.77 | OPRL1 (0.58) | CYP2D6KDM1AOPRL1OPRM1OPRD1 | |
| SCHEMBL20066069 | 0.76 | CYP2D6 (0.47) | CYP2D6KDM1AOPRL1OPRD1HRH3 | |
| SCHEMBL6963361 | 0.75 | CYP2D6 (0.49) | CYP2D6KDM1AOPRL1OPRM1OPRD1 | |
| SCHEMBL9435475 | 0.75 | CYP2D6 (0.49) | CYP2D6KDM1AOPRL1OPRM1OPRD1 |
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 | disclosed |