Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.44 |
| ▸ | SCN4A | P35499 | 3/20 | 0.42 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.41 |
| ▸ | PTGIR | P43119 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | LIPE | Q05469 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2393850 | 1.00 | KMT2A (0.50) | KMT2AL3MBTL1HTR1AADRA1DADRA1A | |
| SCHEMBL2397111 | 0.84 | KMT2A (0.49) | KMT2AL3MBTL1HTR1AADRA1DADRA1A | |
| SCHEMBL21325442 | 0.84 | KMT2A (0.49) | KMT2AL3MBTL1HTR1AADRA1DADRA1A | |
| SCHEMBL2397115 | 0.84 | KMT2A (0.49) | KMT2AL3MBTL1HTR1AADRA1DADRA1A | |
| SCHEMBL19686567 | 0.80 | KMT2A (0.45) | KMT2AL3MBTL1HTR1AADRA1DADRA1A | |
| SCHEMBL2390937 | 0.79 | KMT2A (0.44) | KMT2AL3MBTL1HTR1AADRA1DADRA1A | |
| SCHEMBL2395052 | 0.79 | NPC1 (0.46) | KMT2AL3MBTL1HTR1AADRA1DADRA1A | |
| SCHEMBL2390933 | 0.79 | KMT2A (0.44) | KMT2AL3MBTL1HTR1AADRA1DADRA1A | |
| SCHEMBL2395055 | 0.79 | NPC1 (0.46) | KMT2AL3MBTL1HTR1AADRA1DADRA1A | |
| SCHEMBL2042653 | 0.76 | NPC1 (0.47) | L3MBTL1PTGIRSMN1; SMN2MAPTMAPK1 |
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 |