Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 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 | |
|---|---|---|---|---|
| SCHEMBL8524202 | 0.81 | TAAR1 (0.56) | TAAR1SIGMAR1SLC6A2CYP2A6MAOA | |
| SCHEMBL11990712 | 0.81 | TAAR1 (0.56) | TAAR1SIGMAR1SLC6A2CYP2A6MAOA | |
| SCHEMBL7937676 | 0.77 | SIGMAR1 (0.50) | TAAR1SIGMAR1SLC6A2CYP2A6MAOA | |
| SCHEMBL8072287 | 0.77 | SIGMAR1 (0.58) | TAAR1SIGMAR1SLC6A2CYP2A6MAOA | |
| SCHEMBL19628486 | 0.74 | TAAR1 (0.52) | TAAR1SIGMAR1SLC6A2CYP2A6MAOA | |
| SCHEMBL3823443 | 0.74 | TAAR1 (0.68) | TAAR1SIGMAR1SLC6A2CYP2A6MAOA | |
| SCHEMBL7394097 | 0.73 | TAAR1 (0.54) | TAAR1SIGMAR1SLC6A2CYP2A6MAOA | |
| SCHEMBL21755872 | 0.73 | TAAR1 (0.60) | TAAR1SIGMAR1SLC6A2CYP2A6MAOA | |
| SCHEMBL681082 | 0.73 | TAAR1 (0.60) | TAAR1SIGMAR1SLC6A2CYP2A6MAOA | |
| SCHEMBL2736624 | 0.73 | TAAR1 (0.60) | TAAR1SIGMAR1SLC6A2CYP2A6MAOA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002062764-A9 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-10-10 | — | — | WO | disclosed |