Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | SCN4A | P35499 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2395055 | 1.00 | NPC1 (0.46) | NPC1RAB9AMAPTKMT2AL3MBTL1 | |
| SCHEMBL21325442 | 0.91 | KMT2A (0.49) | NPC1RAB9AMAPTKMT2AL3MBTL1 | |
| SCHEMBL2397111 | 0.91 | KMT2A (0.49) | NPC1RAB9AMAPTKMT2AL3MBTL1 | |
| SCHEMBL2397115 | 0.91 | KMT2A (0.49) | NPC1RAB9AMAPTKMT2AL3MBTL1 | |
| SCHEMBL2390933 | 0.88 | KMT2A (0.44) | NPC1RAB9AMAPTKMT2AL3MBTL1 | |
| SCHEMBL2396595 | 0.88 | TDP1 (0.49) | NPC1RAB9AMAPTKMT2AL3MBTL1 | |
| SCHEMBL2396592 | 0.88 | TDP1 (0.49) | NPC1RAB9AMAPTKMT2AL3MBTL1 | |
| SCHEMBL2390937 | 0.88 | KMT2A (0.44) | NPC1RAB9AMAPTKMT2AL3MBTL1 | |
| SCHEMBL5462371 | 0.83 | NPC1 (0.48) | NPC1RAB9AMAPTKMT2AL3MBTL1 | |
| SCHEMBL5462367 | 0.83 | NPC1 (0.48) | NPC1RAB9AMAPTKMT2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8012901-B1 | Method of synthesizing enantiopure mexiletine analogues and novel β-thiophenoxy and pyridyl ethers | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-09-06 | — | — | US | disclosed |