Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2715325 | 0.92 | ALDH1A1 (0.44) | SCN9AADORA3ADORA1EPHX2ADORA2A | |
| SCHEMBL18266371 | 0.90 | SCN9A (0.39) | SCN9AEPHX2NR1H4MAPTALDH1A1 | |
| SCHEMBL18266731 | 0.88 | SCN9A (0.48) | SCN9AADORA3EPHX2NR1H4MAPT | |
| SCHEMBL2716263 | 0.82 | EPHX2 (0.54) | SCN9AEPHX2NR1H4ALDH1A1GAA | |
| SCHEMBL2717517 | 0.82 | ALDH1A1 (0.46) | SCN9AEPHX2NR1H4MAPTALDH1A1 | |
| SCHEMBL2713229 | 0.81 | EPHX2 (0.54) | SCN9AADORA3ADORA1EPHX2NR1H4 | |
| SCHEMBL2714168 | 0.80 | SCN9A (0.51) | SCN9AEPHX2MAPTALDH1A1MEN1 | |
| SCHEMBL18266145 | 0.79 | WDR5 (0.40) | SCN9AADORA3ADORA1ADORA2AMEN1 | |
| SCHEMBL18266380 | 0.79 | KMT2A (0.47) | ADORA3ADORA1ADORA2AGAAMEN1 | |
| SCHEMBL2717677 | 0.79 | PTGES (0.45) | SCN9AEPHX2CYP2C19 |
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-2630122-B1 | ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC (JP) | 2016-11-30 | — | — | EP | disclosed |