Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 13/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 10/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 10/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 7/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | AOC1 | P19801 | 2/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4135652 | 0.79 | GAA (0.43) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 | |
| SCHEMBL15677629 | 0.78 | CYP2A6 (0.46) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 | |
| SCHEMBL26703868 | 0.77 | CYP2A6 (0.48) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 | |
| SCHEMBL3889056 | 0.76 | GAA (0.41) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 | |
| SCHEMBL3978730 | 0.72 | CYP3A4 (0.55) | CYP2C19CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL14393839 | 0.71 | — | — | |
| SCHEMBL26707958 | 0.70 | MAPT (0.60) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 | |
| SCHEMBL29856493 | 0.70 | CYP2A6 (0.36) | CYP2A6CYP2C19CYP2E1CYP2D6CYP2B6 | |
| SCHEMBL1043688 | 0.70 | — | — | |
| SCHEMBL2236276 | 0.70 | — | — |
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-2022169974-A1 | INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF | NEXYS THERAPEUTICS, INC. (US) | 2022-08-11 | — | — | WO | disclosed |