Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17940749 | 0.78 | CYP1A2 (0.50) | TAAR1SLC6A2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6580099 | 0.75 | CYP2C19 (0.57) | TAAR1SLC6A2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8002017 | 0.75 | SLC6A2 (0.58) | TAAR1SLC6A2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7361271 | 0.75 | SLC6A2 (0.58) | TAAR1SLC6A2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11436947 | 0.75 | SLC6A2 (0.58) | TAAR1SLC6A2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10601271 | 0.73 | TAAR1 (0.56) | TAAR1SLC6A2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14910579 | 0.73 | TAAR1 (0.56) | TAAR1SLC6A2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7776137 | 0.73 | CYP1A2 (0.54) | TAAR1SLC6A2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10417846 | 0.73 | TAAR1 (0.56) | TAAR1SLC6A2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL115909 | 0.73 | TAAR1 (0.56) | TAAR1SLC6A2CYP1A2CYP2C9CYP2C19 |
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-2015050236-A1 | FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME | ダイキン工業株式会社 | 2015-04-09 | — | — | WO | disclosed |