Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 8/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.39 |
| ▸ | EDNRB | P24530 | 1/20 | 0.39 |
| ▸ | EDNRA | P25101 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.38 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12469858 | 0.91 | SCN9A (0.45) | SCN9AMAPTCYP3A4 | |
| SCHEMBL12470256 | 0.90 | SCN9A (0.51) | SCN9AMAPTCYP3A4 | |
| SCHEMBL12470006 | 0.89 | SCN9A (0.42) | SCN9AEDNRBEDNRAHCRTR1HCRTR2 | |
| SCHEMBL12470231 | 0.87 | MAOB (0.46) | SCN9AMAPTCYP3A4 | |
| SCHEMBL12470044 | 0.86 | SCN9A (0.44) | SCN9ACYP3A4 | |
| SCHEMBL12470330 | 0.86 | MAOB (0.47) | SCN9AMAPTCYP3A4 | |
| SCHEMBL12470121 | 0.85 | SCN9A (0.41) | SCN9AMAPTCYP3A4 | |
| SCHEMBL12471313 | 0.83 | SCN9A (0.47) | SCN9AMAPTCYP3A4 | |
| SCHEMBL12470200 | 0.82 | SCN9A (0.41) | SCN9ACYP3A4 | |
| SCHEMBL12470315 | 0.82 | MAPT (0.42) | SCN9AMAPTCYP3A4 |
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-2012049555-A1 | SPIROCYCLIC COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS | LUPIN LIMITED (IN) | 2012-04-19 | — | — | WO | disclosed |