Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 8/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4715512 | 0.82 | SLC6A4 (0.48) | L3MBTL1MCHR1CHRM4 | |
| SCHEMBL4714391 | 0.81 | SMN1; SMN2 (0.44) | CYP2D6L3MBTL1 | |
| SCHEMBL1969047 | 0.77 | TAAR1 (0.60) | TAAR1AOC3CHRM1CYP2D6HRH1 | |
| SCHEMBL4711078 | 0.75 | L3MBTL1 (0.42) | AGTR2TAAR1L3MBTL1 | |
| SCHEMBL29056938 | 0.75 | L3MBTL1 (0.66) | AGTR2CYP2D6L3MBTL1SIGMAR1 | |
| SCHEMBL27544931 | 0.73 | CHIA (0.52) | AGTR2TAAR1CHRM1CHRM3CYP2D6 | |
| SCHEMBL4713293 | 0.73 | TAAR1 (0.49) | AGTR2TAAR1AOC3L3MBTL1SIGMAR1 | |
| Oxalic Acid SCHEMBL7470413 | 0.72 | KMT2A (0.57) | CHRM1CYP2D6HRH1L3MBTL1MCHR1 | |
| SCHEMBL28550033 | 0.72 | HRH3 (0.35) | L3MBTL1 | |
| SCHEMBL144125 | 0.72 | KMT2A (0.51) | AGTR2SIGMAR1MCHR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1933830-A1 | ANTAGONISTS OF SNS SODIUM CHANNELS | Vernalis (R&D) Limited (GB) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007007057-A1 | ANTAGONISTS OF SNS SODIUM CHANNELS | VERNALIS (R & D) LIMITED (GB) | 2007-01-18 | — | — | WO | disclosed |