Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CCR2 | P41597 | 2/20 | 0.37 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29709319 | 0.88 | CHRM1 (0.45) | MAPK14CHRM1KCNH2CCR2 | |
| SCHEMBL20073891 | 0.88 | CHRM1 (0.45) | MAPK14CHRM1KCNH2CCR2 | |
| SCHEMBL23799157 | 0.88 | HRH4 (0.37) | MAPK14CHRM1KCNH2CCR2CCR5 | |
| SCHEMBL22407124 | 0.82 | CCR2 (0.39) | MAPK14CHRM1CCR2SLC6A5HRH3 | |
| SCHEMBL23778304 | 0.80 | MAPK14 (0.43) | MAPK14CHRM1KCNH2CCR2 | |
| SCHEMBL23778437 | 0.79 | PRKCB (0.34) | MAPK14CHRM1 | |
| SCHEMBL23778313 | 0.77 | MAPK14 (0.46) | MAPK14BTK | |
| SCHEMBL23778447 | 0.77 | NQO2 (0.41) | MAPK14SLC6A5HRH3BTKSIGMAR1 | |
| SCHEMBL23778366 | 0.77 | HRH3 (0.40) | MAPK14HRH3 | |
| SCHEMBL23778419 | 0.76 | BACE1 (0.44) | MAPK14SLC6A5SIGMAR1 |
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 |