Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | AOC2 | O75106 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2394607 | 1.00 | GAA (0.61) | GAAMEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL2396381 | 0.87 | GAA (0.63) | GAAMEN1KMT2ASLC6A4MAPT | |
| SCHEMBL2396384 | 0.87 | GAA (0.63) | GAAMEN1KMT2ASLC6A4MAPT | |
| SCHEMBL2395009 | 0.86 | L3MBTL1 (0.56) | GAAMEN1KMT2ATDP1SLC6A4 | |
| SCHEMBL2395015 | 0.86 | L3MBTL1 (0.56) | GAAMEN1KMT2ATDP1SLC6A4 | |
| SCHEMBL2394584 | 0.83 | GAA (0.48) | GAAMEN1KMT2ACYP1A2SLC6A4 | |
| SCHEMBL2394591 | 0.83 | GAA (0.48) | GAAMEN1KMT2ACYP1A2SLC6A4 | |
| SCHEMBL2395102 | 0.80 | MAPT (0.65) | MEN1KMT2ACYP1A2CYP2C19TDP1 | |
| SCHEMBL2396595 | 0.80 | TDP1 (0.49) | GAAMEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL2396592 | 0.80 | TDP1 (0.49) | GAAMEN1KMT2ACYP1A2CYP2C19 |
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 |