Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 12/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20066036 | 0.87 | HRH3 (0.43) | HRH3KCNH2ALDH1A1KDM4ECHRM2 | |
| SCHEMBL24609151 | 0.85 | MAPK1 (0.42) | HRH3KCNH2ALDH1A1CHRM2CHRM4 | |
| SCHEMBL20066037 | 0.78 | HRH3 (0.43) | HRH3KCNH2ALDH1A1KDM4ETSHR | |
| SCHEMBL20066025 | 0.78 | HRH3 (0.46) | HRH3ALDH1A1KDM4ECHRM2CHRM4 | |
| SCHEMBL24609202 | 0.77 | CHRM2 (0.54) | ALDH1A1KDM4ECHRM2CHRM4CHRM1 | |
| SCHEMBL24609124 | 0.73 | NOS2 (0.51) | ALDH1A1KDM4ECHRM2CHRM4CHRM1 | |
| SCHEMBL20066227 | 0.72 | HRH3 (0.45) | HRH3KCNH2ALDH1A1 | |
| SCHEMBL23778232 | 0.72 | HRH3 (0.44) | HRH3KCNH2ALDH1A1TSHRKMT2A | |
| SCHEMBL20066026 | 0.72 | HRH3 (0.41) | HRH3KCNH2ALDH1A1KDM4ECHRM2 | |
| SCHEMBL24609120 | 0.71 | MAPK1 (0.46) | HRH3ALDH1A1KDM4ECHRM2CHRM4 |
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 |