Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN4A | P35499 | 5/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 4/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL9299256 | 0.82 | MAOA (0.61) | SCN4AMAOAMAOBALDH1A1 | |
| SCHEMBL1496515 | 0.81 | SMN1; SMN2 (0.46) | NPC1EPHX1ALDH1A1ACP3CA4 | |
| SCHEMBL28915703 | 0.78 | L3MBTL1 (0.46) | NPC1KIF11EPHX1ALDH1A1ACP3 | |
| SCHEMBL28915705 | 0.78 | L3MBTL1 (0.46) | NPC1KIF11EPHX1ALDH1A1ACP3 | |
| SCHEMBL15326789 | 0.75 | SCN4A (0.76) | SCN4ACYP1A2CYP2D6CYP2C19TACR1 | |
| SCHEMBL5680007 | 0.75 | CYP1A2 (0.83) | CYP1A2CYP2D6CYP2C19TACR1EPHX1 | |
| SCHEMBL1255723 | 0.74 | KIF11 (0.67) | CYP1A2CYP2D6CYP2C19KIF11 | |
| SCHEMBL28825153 | 0.74 | LMNA (0.55) | NPC1EPHX1ALDH1A1 | |
| SCHEMBL24019096 | 0.73 | NPC1 (0.51) | CYP1A2CYP2D6CYP2C19MAOAMAOB | |
| SCHEMBL9768891 | 0.73 | CA4 (0.44) | MAOAMAOBNPC1ALDH1A1CA4 |
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 3 patents. 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 |
| 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 |
| 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 |