Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.46 |
| ▸ | APAF1 | O14727 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 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 |
| ▸ | SMPD1 | P17405 | 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 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | CASR | P41180 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL3905036 | 1.00 | SCN8A (0.46) | SCN8AAPAF1CYP3A4CHRM2HTR1A | |
| Toluene SCHEMBL3903571 | 1.00 | SCN8A (0.46) | SCN8AAPAF1CYP3A4CHRM2HTR1A | |
| SCHEMBL3357678 | 0.94 | CYP3A4 (0.50) | SCN8AAPAF1CYP3A4CHRM2HTR1A | |
| SCHEMBL3354867 | 0.94 | CYP3A4 (0.50) | SCN8AAPAF1CYP3A4CHRM2HTR1A | |
| SCHEMBL3357314 | 0.94 | CYP3A4 (0.50) | SCN8AAPAF1CYP3A4CHRM2HTR1A | |
| Toluene SCHEMBL3908528 | 0.79 | ALDH1A1 (0.52) | CYP3A4CYP1A2CYP2D6KMT2ASMN1; SMN2 | |
| SCHEMBL5439352 | 0.76 | EPHX2 (0.44) | LMNAALDH1A1EPHX2 | |
| Toluene SCHEMBL3904509 | 0.76 | REN (0.47) | DRD3LMNAKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL5440342 | 0.76 | EPHX2 (0.44) | LMNAALDH1A1EPHX2 | |
| SCHEMBL5437641 | 0.75 | EPHX2 (0.50) | HTR1AADORA3CHRM1SLC6A2SLC6A4 |
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-7498436-B2 | Substituted hydroxyethylamines | PHARMACIA & UPJOHN COMPANY LLC (US) | 2009-03-03 | — | — | US | disclosed |