Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.48 |
| ▸ | RXRB | P28702 | 1/20 | 0.48 |
| ▸ | RXRG | P48443 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL2396595 | 1.00 | TDP1 (0.49) | TDP1RXRARXRBRXRGNPC1 | |
| SCHEMBL2393867 | 0.91 | RXRA (0.50) | TDP1RXRARXRBRXRGNPC1 | |
| SCHEMBL2393872 | 0.91 | RXRA (0.50) | TDP1RXRARXRBRXRGNPC1 | |
| SCHEMBL2395640 | 0.89 | RXRA (0.49) | RXRARXRBRXRGNPC1RAB9A | |
| SCHEMBL2395642 | 0.89 | RXRA (0.49) | RXRARXRBRXRGNPC1RAB9A | |
| SCHEMBL2391437 | 0.89 | L3MBTL1 (0.51) | TDP1RXRARXRBNPC1RAB9A | |
| SCHEMBL2391433 | 0.89 | L3MBTL1 (0.51) | TDP1RXRARXRBNPC1RAB9A | |
| SCHEMBL2395055 | 0.88 | NPC1 (0.46) | TDP1RXRARXRBRXRGNPC1 | |
| SCHEMBL2395052 | 0.88 | NPC1 (0.46) | TDP1RXRARXRBRXRGNPC1 | |
| SCHEMBL5462371 | 0.83 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2MEN1KMT2A |
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 |