Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.36 |
| ▸ | PRKCB | P05771 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23778274 | 0.91 | CYP2D6 (0.52) | CYP2D6KDM1APRKCBALDH1A1MEN1 | |
| SCHEMBL23778279 | 0.90 | CYP2D6 (0.49) | CYP2D6KDM1APRKCBALDH1A1PDE4A | |
| SCHEMBL23778249 | 0.90 | CYP2D6 (0.43) | CYP2D6KDM1AKDM2BPRKCBALDH1A1 | |
| SCHEMBL23778336 | 0.84 | CYP2D6 (0.57) | CYP2D6KDM1APRKCBALDH1A1PDE4A | |
| SCHEMBL23778310 | 0.84 | CYP2D6 (0.46) | CYP2D6KDM1APRKCBPDE4APDE4B | |
| SCHEMBL23778231 | 0.84 | CYP2D6 (0.44) | CYP2D6KDM1AKDM2BPRKCBALDH1A1 | |
| SCHEMBL23778251 | 0.84 | PIK3CA (0.38) | CYP2D6KDM2BPRKCB | |
| SCHEMBL23778369 | 0.83 | CYP2D6 (0.41) | CYP2D6PRKCB | |
| SCHEMBL23778427 | 0.83 | CYP2D6 (0.48) | CYP2D6KDM1AALDH1A1MEN1KMT2A | |
| SCHEMBL23778283 | 0.83 | CYP2D6 (0.44) | CYP2D6KDM2BALDH1A1PDE4APDE4B |
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 |