Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.39 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7683393 | 0.85 | NPC1 (0.71) | NPC1CYP2C9CYP2C19MAPTKDM4E | |
| SCHEMBL584234 | 0.85 | NPC1 (0.71) | NPC1CYP2C9CYP2C19MAPTKDM4E | |
| SCHEMBL8076355 | 0.80 | NPC1 (0.79) | NPC1MAPTKDM4ERAB9AKMT2A | |
| SCHEMBL1114367 | 0.77 | NPC1 (0.79) | NPC1MAPTKDM4ERAB9AKMT2A | |
| Ethyl Nicotinate SCHEMBL7711056 | 0.76 | L3MBTL1 (0.50) | NPC1CYP2C9CYP2C19MAPTKDM4E | |
| SCHEMBL7712857 | 0.74 | MAPT (0.53) | NPC1CYP2C9CYP2C19MAPTKDM4E | |
| SCHEMBL584503 | 0.73 | NPC1 (0.69) | NPC1MAPTKDM4ERAB9AKMT2A | |
| SCHEMBL4162991 | 0.73 | NPC1 (0.69) | NPC1MAPTKDM4ERAB9AKMT2A | |
| SCHEMBL31074740 | 0.73 | ALDH1A1 (0.43) | NPC1MAPTKDM4ERAB9APOLB | |
| SCHEMBL11170918 | 0.73 | NPC1 (0.74) | NPC1MAPTPOLBKMT2ACACNA1F |
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-6423707-B1 | Nitroimidazole ester analogues and therapeutic applications | CALIFORNIA PACIFIC MEDICAL CENTER | 2002-07-23 | — | — | US | disclosed |