Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 4/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | EDNRB | P24530 | 1/20 | 0.39 |
| ▸ | EDNRA | P25101 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL12470330 | 0.88 | MAOB (0.47) | SCN9ATP53MAPTKMT2AMEN1 | |
| SCHEMBL12470315 | 0.85 | MAPT (0.42) | SCN9AMAPTALDH1A1MAOBCTSD | |
| SCHEMBL12470256 | 0.85 | SCN9A (0.51) | SCN9AMAPTPTGDR2 | |
| SCHEMBL12469858 | 0.84 | SCN9A (0.45) | SCN9ATP53MAPTMAOB | |
| SCHEMBL12471313 | 0.84 | SCN9A (0.47) | SCN9ASMN1; SMN2TP53MAPTALDH1A1 | |
| SCHEMBL12470286 | 0.82 | SCN9A (0.43) | SCN9AMAPTEDNRBEDNRA | |
| SCHEMBL12470231 | 0.82 | MAOB (0.46) | SCN9AMAPTALDH1A1MAOBCTSD | |
| SCHEMBL12470007 | 0.80 | SCN9A (0.50) | SCN9AMAPTMAOBCTSDBACE1 | |
| SCHEMBL12470044 | 0.80 | SCN9A (0.44) | SCN9AALDH1A1KDM4EMAOBCTSD | |
| SCHEMBL12470080 | 0.79 | SCN9A (0.47) | SCN9AMAPTMAOBCTSDBACE1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012049555-A1 | SPIROCYCLIC COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS | LUPIN LIMITED (IN) | 2012-04-19 | — | — | WO | claimed |
| WO-2012049555-A1 | SPIROCYCLIC COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS | LUPIN LIMITED (IN) | 2012-04-19 | — | — | WO | disclosed |