Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL11044932 | 0.85 | GABRA1 (0.41) | TAAR1SLC6A2SLC6A4CYP2D6SLC6A3 | |
| SCHEMBL29560806 | 0.81 | GABRA1 (0.54) | TAAR1SLC6A2SLC6A4TSHRACHE | |
| SCHEMBL5499384 | 0.81 | GABRA1 (0.54) | TAAR1SLC6A2SLC6A4TSHRACHE | |
| SCHEMBL508570 | 0.81 | GABRA1 (0.54) | TAAR1SLC6A2SLC6A4TSHRACHE | |
| SCHEMBL11101399 | 0.80 | TAAR1 (0.43) | TAAR1SLC6A2SLC6A4TSHRACHE | |
| Ammonia Solution, Strong SCHEMBL16099684 | 0.79 | GABRA1 (0.52) | TAAR1SLC6A2SLC6A4TSHRACHE | |
| SCHEMBL24348026 | 0.77 | TAAR1 (0.45) | TAAR1SLC6A2SLC6A4TSHRACHE | |
| SCHEMBL15319485 | 0.77 | TAAR1 (0.45) | TAAR1SLC6A2SLC6A4TSHRACHE | |
| Ortetamine SCHEMBL42180 | 0.77 | TAAR1 (0.52) | TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22809645 | 0.77 | TAAR1 (0.45) | TAAR1SLC6A2SLC6A4TSHRACHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-106103423-A | Chemical compound | 阿斯利康(瑞典)有限公司 | 2016-11-09 | — | — | CN | disclosed |