Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 6/20 | 0.54 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.50 |
| ▸ | ADK | P55263 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL281432 | 0.84 | SIRT1 (0.46) | GSK3BSCN9AADKLMNAMAPT | |
| SCHEMBL2994860 | 0.81 | SCN9A (0.52) | GSK3BSCN9AADKTSHRALDH1A1 | |
| SCHEMBL27707819 | 0.80 | SCN9A (0.53) | GSK3BSCN9ALMNAMAPTTSHR | |
| SCHEMBL281812 | 0.80 | SCN9A (0.53) | SCN9ATSHRHPGD | |
| SCHEMBL281216 | 0.80 | SCN9A (0.53) | GSK3BSCN9ALMNAMAPTTSHR | |
| SCHEMBL19763099 | 0.80 | SCN9A (0.48) | GSK3BSCN9AADKTSHRALDH1A1 | |
| SCHEMBL18606884 | 0.79 | SCN9A (0.51) | GSK3BSCN9AADKHPGD | |
| SCHEMBL281104 | 0.79 | GSK3B (0.47) | GSK3BSCN9AADKLMNAMAPT | |
| SCHEMBL27728408 | 0.79 | SCN9A (0.48) | SCN9ATSHRALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL281769 | 0.79 | SCN9A (0.75) | SCN9AALDH1A1KMT2A |
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 |