Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7226254 | 0.88 | NPC1 (0.59) | NPC1RAB9AL3MBTL1ALDH1A1KDM4E | |
| SCHEMBL7077992 | 0.88 | MMP13 (0.46) | NPC1RAB9AL3MBTL1ALDH1A1KDM4E | |
| SCHEMBL7225223 | 0.88 | NPC1 (0.45) | NPC1RAB9AL3MBTL1ALDH1A1KDM4E | |
| SCHEMBL7075008 | 0.88 | MMP13 (0.46) | NPC1RAB9AL3MBTL1ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL7224947 | 0.87 | NPC1 (0.44) | NPC1RAB9AL3MBTL1ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL7231981 | 0.87 | NPC1 (0.58) | NPC1RAB9AL3MBTL1ALDH1A1KDM4E | |
| SCHEMBL7225131 | 0.87 | ALDH1A1 (0.45) | NPC1RAB9AL3MBTL1ALDH1A1KDM4E | |
| SCHEMBL7232663 | 0.87 | ALDH1A1 (0.45) | NPC1RAB9AL3MBTL1ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL7075860 | 0.87 | MMP13 (0.45) | NPC1RAB9AL3MBTL1ALDH1A1KDM4E | |
| SCHEMBL7233288 | 0.87 | NPC1 (0.46) | NPC1RAB9AL3MBTL1ALDH1A1KDM4E |
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 |