Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.62 |
| ▸ | RAB9A | P51151 | 4/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | MAOA | P21397 | 2/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.44 |
| ▸ | WNT3A | P56704 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2394568 | 1.00 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2ALDH1A1MAOA | |
| SCHEMBL2394690 | 0.83 | MAOB (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1MAOA | |
| SCHEMBL2394692 | 0.83 | MAOB (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1MAOA | |
| SCHEMBL2394331 | 0.81 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2ALDH1A1MAOA | |
| SCHEMBL31351884 | 0.76 | ALOX15 (0.50) | ALDH1A1MAOAMAOBPOLBMAPT | |
| SCHEMBL20491186 | 0.72 | GAA (0.50) | SMN1; SMN2ALDH1A1L3MBTL1KDM4EMAPT | |
| SCHEMBL11791592 | 0.71 | KMT2A (0.66) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB | |
| SCHEMBL11791610 | 0.71 | KMT2A (0.66) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB | |
| SCHEMBL11792563 | 0.69 | MAPT (0.64) | NPC1RAB9ASMN1; SMN2ALDH1A1MAOB | |
| SCHEMBL14285650 | 0.68 | HTT (0.65) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB |
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 |