Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.46 |
| ▸ | MC5R | P33032 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MC3R | P41968 | 2/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | MC1R | Q01726 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 3/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | MLNR | O43193 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8091054 | 0.89 | SIGMAR1 (0.53) | SIGMAR1MC5RMC3RMC4RCASR | |
| SCHEMBL8099974 | 0.89 | SIGMAR1 (0.52) | SIGMAR1CASRSLC6A2SLC6A4CYP2D6 | |
| SCHEMBL8100039 | 0.81 | NQO2 (0.51) | SIGMAR1CASRSLC6A2SLC6A4CYP2D6 | |
| SCHEMBL8093077 | 0.81 | CASR (0.49) | SIGMAR1MC5RMC4RCASRCYP1A2 | |
| SCHEMBL8096840 | 0.75 | SIGMAR1 (0.50) | SIGMAR1MC5RMAPK1MC3RMC4R | |
| SCHEMBL8091780 | 0.73 | SIGMAR1 (0.53) | SIGMAR1CYP2D6CYP1A2 | |
| SCHEMBL932837 | 0.73 | MC5R (0.63) | SIGMAR1MC5RMAPK1MC3RMC4R | |
| SCHEMBL7212154 | 0.73 | SLC6A2 (0.60) | SIGMAR1MC3RCASRADRA2CSLC6A2 | |
| SCHEMBL20898202 | 0.71 | CYP1A2 (0.68) | MC5RMAPK1MC3RMC4RMC1R | |
| Phenylbutanoic Acid SCHEMBL20897923 | 0.71 | CYP1A2 (0.72) | MC5RMAPK1MC3RMC4RMC1R |
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 |
|---|---|---|---|---|---|---|---|
| US-6057371-A | TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-05-02 | — | — | US | claimed |