Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL13075233 | 0.81 | TAAR1 (0.44) | TAAR1CYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL17590494 | 0.73 | CYP1A2 (0.50) | TAAR1CYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL27817765 | 0.71 | TAAR1 (0.53) | TAAR1CYP2D6CYP2C19GAAAOC3 | |
| SCHEMBL12585557 | 0.70 | DRD2 (0.42) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL91196 | 0.68 | KDM4E (0.62) | TAAR1KDM4EALDH1A1POLBGAA | |
| SCHEMBL5149397 | 0.68 | TAAR1 (0.42) | TAAR1KDM4EALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL11639984 | 0.68 | TAAR1 (0.42) | TAAR1AOC3CHRM2CHRM1CHRM3 | |
| SCHEMBL2406757 | 0.68 | TAAR1 (0.52) | TAAR1AOC3SLC6A4SLC6A3MAOB | |
| SCHEMBL681408 | 0.67 | TAAR1 (1.00) | TAAR1CYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL2135113 | 0.67 | TAAR1 (0.68) | TAAR1AOC3SLC6A4MAOBIDO1 |
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-102164896-A | Phenethylamide derivatives and their heterocyclic analogues | ACTELION PHARMACEUTICALS LTD | 2011-08-24 | — | — | CN | disclosed |