Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | FDPS | P14324 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10892510 | 0.86 | CYP2A6 (0.57) | CYP2A6CYP2A13 | |
| SCHEMBL11666263 | 0.84 | SIGMAR1 (0.72) | SIGMAR1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL7922310 | 0.84 | SIGMAR1 (0.72) | SIGMAR1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL6909380 | 0.84 | SIGMAR1 (0.72) | SIGMAR1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL13645975 | 0.84 | CYP2A6 (0.59) | CYP2A6CYP2A13 | |
| SCHEMBL21523334 | 0.80 | ALDH1A1 (0.52) | KCNH2CYP2A6CYP2A13 | |
| SCHEMBL11227114 | 0.80 | ALDH1A1 (0.52) | KCNH2CYP2A6CYP2A13 | |
| SCHEMBL6791450 | 0.80 | ALDH1A1 (0.52) | KCNH2CYP2A6CYP2A13 | |
| SCHEMBL17278365 | 0.79 | ALDH1A1 (0.54) | SIGMAR1ADRA1ASLC6A3CYP2A6 | |
| SCHEMBL2600458 | 0.79 | AOC3 (0.64) | SIGMAR1KCNH2CHRM2HTR1AADRA2A |
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-0003663-A2 | Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them | AMERICAN CYANAMID COMPANY (US) | 1979-08-22 | — | — | EP | disclosed |