Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SCN4A | P35499 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL2395075 | 1.00 | GAA (0.51) | GAAKMT2AMEN1NPC1ALDH1A1 | |
| SCHEMBL2394584 | 0.85 | GAA (0.48) | GAAKMT2AMEN1NPC1ALDH1A1 | |
| SCHEMBL2394591 | 0.85 | GAA (0.48) | GAAKMT2AMEN1NPC1ALDH1A1 | |
| SCHEMBL2410280 | 0.85 | GAA (0.51) | GAAKMT2AMEN1NPC1ALDH1A1 | |
| SCHEMBL2410276 | 0.85 | GAA (0.51) | GAAKMT2AMEN1NPC1ALDH1A1 | |
| SCHEMBL2396381 | 0.83 | GAA (0.63) | GAAKMT2AMEN1NPC1RAB9A | |
| SCHEMBL2396384 | 0.83 | GAA (0.63) | GAAKMT2AMEN1NPC1RAB9A | |
| SCHEMBL21325441 | 0.81 | KMT2A (0.50) | KMT2AMEN1NPC1ALDH1A1RAB9A | |
| SCHEMBL21325442 | 0.79 | KMT2A (0.49) | GAAKMT2AMEN1NPC1ALDH1A1 | |
| SCHEMBL2397111 | 0.79 | KMT2A (0.49) | GAAKMT2AMEN1NPC1ALDH1A1 |
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 |