Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | PRKCB | P05771 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 2/20 | 0.33 |
| ▸ | MC3R | P41968 | 2/20 | 0.33 |
| ▸ | MC1R | Q01726 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | PREP | P48147 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
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 | 0.86 | CYP2D6 (0.52) | CYP2D6ALDH1A1PRKCBMC4RMC3R | |
| SCHEMBL23778231 | 0.84 | CYP2D6 (0.44) | CYP2D6ALDH1A1PRKCBKDM4ECCR2 | |
| SCHEMBL23778369 | 0.83 | CYP2D6 (0.41) | CYP2D6KCNH2PRKCBKDM4EMC4R | |
| SCHEMBL23778436 | 0.82 | CYP2D6 (0.41) | CYP2D6PRKCBMC4RMC3RMC1R | |
| SCHEMBL23778336 | 0.82 | CYP2D6 (0.57) | CYP2D6ALDH1A1PRKCBKDM1A | |
| SCHEMBL23778310 | 0.82 | CYP2D6 (0.46) | CYP2D6KCNH2PRKCBCCR2KMT2A | |
| SCHEMBL23778346 | 0.81 | PRKCB (0.43) | CYP2D6KCNH2PRKCBCCR2DPP4 | |
| SCHEMBL23778233 | 0.81 | CYP2D6 (0.44) | CYP2D6ALDH1A1PRKCBCCR2KMT2A | |
| SCHEMBL23778303 | 0.81 | CYP2D6 (0.38) | CYP2D6PRKCBMC4RMC3RMC1R | |
| SCHEMBL23778249 | 0.81 | CYP2D6 (0.43) | CYP2D6ALDH1A1SMN1; SMN2PRKCBCCR2 |
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 |