Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | KDM1A | O60341 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11251599 | 0.85 | OPRM1 (0.47) | OPRM1DRD4CYP2D6CHRM2HTR1A | |
| Bromide SCHEMBL11241487 | 0.83 | OPRM1 (0.46) | OPRM1DRD4CYP2D6CHRM2HTR1A | |
| SCHEMBL9927232 | 0.79 | DRD4 (0.50) | OPRM1DRD4SETD7CYP1A2SIGMAR1 | |
| SCHEMBL29470988 | 0.79 | DRD4 (0.50) | OPRM1DRD4SETD7CYP1A2SIGMAR1 | |
| SCHEMBL14595441 | 0.78 | MEN1 (0.39) | ADORA3SLC6A2SLC6A3CYP1A2BCHE | |
| SCHEMBL11247919 | 0.77 | HRH1 (0.48) | OPRM1DRD4CYP2D6CHRM2HTR1A | |
| SCHEMBL11250474 | 0.77 | HTR2A (0.56) | OPRM1CYP2D6CHRM2HTR1AADRA2A | |
| SCHEMBL7675298 | 0.77 | SIGMAR1 (0.46) | CYP2D6KDM1ASIGMAR1 | |
| Bromide SCHEMBL11258479 | 0.76 | HRH1 (0.47) | OPRM1DRD4CYP2D6CHRM2HTR1A | |
| Bromide SCHEMBL11256460 | 0.76 | HTR2A (0.56) | OPRM1CYP2D6CHRM2HTR1AADRA2A |
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-6387893-B1 | ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA | MERCK & CO., INC. | 2002-05-14 | — | — | US | disclosed |