Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.39 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.39 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 3/20 | 0.37 |
| ▸ | TKT | P29401 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.35 |
| ▸ | LGMN | Q99538 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4853164 | 0.77 | DAO (0.41) | PPARDKCNQ3KCNQ2KCNQ4KCNQ5 | |
| SCHEMBL28474974 | 0.76 | CA2 (0.47) | — | |
| SCHEMBL1936444 | 0.75 | PPARG (0.41) | PPARA | |
| SCHEMBL1937035 | 0.75 | EPHX2 (0.37) | CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL4445933 | 0.74 | ALDH1A1 (0.45) | PPARDKCNQ3KCNQ2KCNQ4KCNQ5 | |
| SCHEMBL4072985 | 0.74 | MME (0.43) | PPARA | |
| SCHEMBL28652308 | 0.73 | SRR (0.45) | PPARA | |
| SCHEMBL25255517 | 0.72 | GRB2 (0.54) | MRGPRX4 | |
| SCHEMBL18256345 | 0.72 | GRB2 (0.54) | MRGPRX4 | |
| SCHEMBL31754268 | 0.72 | GRB2 (0.54) | MRGPRX4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2410858-A1 | P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | Merck Sharp & Dohme Corp. (US) | 2012-02-01 | — | — | EP | disclosed |