Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 3/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1760004 | 0.87 | FFAR4 (0.43) | FFAR4HDAC6OPRM1KCNH2ALDH1A1 | |
| SCHEMBL23008877 | 0.84 | FFAR4 (0.39) | MAP3K12FFAR4HDAC6ALDH1A1 | |
| SCHEMBL17713182 | 0.84 | FFAR4 (0.39) | MAP3K12FFAR4HDAC6ALDH1A1LMNA | |
| SCHEMBL20066130 | 0.82 | FFAR4 (0.38) | FFAR4HDAC6OPRM1CYP2D6HDAC3 | |
| SCHEMBL29705628 | 0.80 | MAP3K12 (0.37) | MAP3K12PDE1APDE1BPDE1CPIK3CD | |
| SCHEMBL21246247 | 0.80 | MAP3K12 (0.37) | MAP3K12PDE1APDE1BPDE1COPRM1 | |
| SCHEMBL3370369 | 0.80 | MAP3K12 (0.37) | MAP3K12PDE1APDE1BPDE1CPIK3CD | |
| SCHEMBL11920960 | 0.79 | FFAR4 (0.39) | FFAR4HDAC6 | |
| SCHEMBL20074533 | 0.78 | FFAR4 (0.36) | MAP3K12FFAR4HDAC6OPRM1 | |
| SCHEMBL21246249 | 0.77 | MAP3K12 (0.35) | MAP3K12FFAR4PDE1APDE1BPDE1C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018069732-A1 | HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. | HEPTARES THERAPEUTICS LIMITED (GB) | 2018-04-19 | — | — | WO | disclosed |