Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 7/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.41 |
| ▸ | CHRNG | P07510 | 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 | |
|---|---|---|---|---|
| SCHEMBL7224267 | 0.90 | NPC1 (0.39) | NPC1RAB9AL3MBTL1AKT1CHRNB2 | |
| SCHEMBL7226254 | 0.87 | NPC1 (0.59) | NPC1RAB9AL3MBTL1AKT1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7231981 | 0.86 | NPC1 (0.58) | NPC1RAB9AL3MBTL1AKT1ALDH1A1 | |
| SCHEMBL7234270 | 0.86 | NPC1 (0.40) | NPC1RAB9AL3MBTL1AKT1ALDH1A1 | |
| SCHEMBL7234436 | 0.84 | NPC1 (0.45) | NPC1RAB9AL3MBTL1AKT1CHRNB2 | |
| SCHEMBL7224388 | 0.84 | NPC1 (0.46) | NPC1RAB9AL3MBTL1AKT1ALDH1A1 | |
| SCHEMBL7232165 | 0.84 | AKT1 (0.43) | NPC1RAB9AL3MBTL1AKT1ALDH1A1 | |
| SCHEMBL7233288 | 0.84 | NPC1 (0.46) | NPC1RAB9AL3MBTL1AKT1ALDH1A1 | |
| SCHEMBL7231502 | 0.83 | CHRNB2 (0.46) | NPC1RAB9AAKT1CHRNB2CHRNA4 | |
| SCHEMBL7075008 | 0.83 | MMP13 (0.46) | NPC1RAB9AL3MBTL1ALDH1A1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6562816-B2 | Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | claimed |
| US-6562816-B2 | Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | disclosed |