Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 17/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12470808 | 0.88 | SCN9A (0.45) | SCN9AMAPTCYP3A4CTSDBACE1 | |
| SCHEMBL12470080 | 0.86 | SCN9A (0.47) | SCN9AMAPTCYP3A4CTSDBACE1 | |
| SCHEMBL12470256 | 0.84 | SCN9A (0.51) | SCN9AMAPTCYP3A4 | |
| SCHEMBL12469858 | 0.84 | SCN9A (0.45) | SCN9AMAPTCYP3A4 | |
| SCHEMBL12471313 | 0.83 | SCN9A (0.47) | SCN9AMAPTCYP3A4CTSDBACE1 | |
| SCHEMBL12470286 | 0.82 | SCN9A (0.43) | SCN9AMAPTCYP3A4 | |
| SCHEMBL12470231 | 0.82 | MAOB (0.46) | SCN9AMAPTCYP3A4CTSDBACE1 | |
| SCHEMBL12470007 | 0.81 | SCN9A (0.50) | SCN9AMAPTCYP3A4CTSDBACE1 | |
| SCHEMBL12470044 | 0.81 | SCN9A (0.44) | SCN9ACYP3A4CTSDBACE1 | |
| SCHEMBL12470330 | 0.81 | MAOB (0.47) | 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 | claimed |