Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SCN4A | P35499 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL2394591 | 1.00 | GAA (0.48) | GAAMAPTSLC6A4KMT2AALDH1A1 | |
| SCHEMBL2395073 | 0.85 | GAA (0.51) | GAAMAPTSLC6A4KMT2AALDH1A1 | |
| SCHEMBL2395075 | 0.85 | GAA (0.51) | GAAMAPTSLC6A4KMT2AALDH1A1 | |
| SCHEMBL2410276 | 0.84 | GAA (0.51) | GAASLC6A4KMT2AALDH1A1NPC1 | |
| SCHEMBL2410280 | 0.84 | GAA (0.51) | GAASLC6A4KMT2AALDH1A1NPC1 | |
| SCHEMBL2394601 | 0.83 | GAA (0.61) | GAAMAPTSLC6A4KMT2AALDH1A1 | |
| SCHEMBL2394607 | 0.83 | GAA (0.61) | GAAMAPTSLC6A4KMT2AALDH1A1 | |
| SCHEMBL2393841 | 0.79 | MAPT (0.51) | MAPTKMT2AALDH1A1NPC1RAB9A | |
| SCHEMBL2395055 | 0.78 | NPC1 (0.46) | MAPTSLC6A4KMT2ANPC1RAB9A | |
| SCHEMBL2395052 | 0.78 | NPC1 (0.46) | MAPTSLC6A4KMT2ANPC1RAB9A |
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 |