Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | MMP13 | P45452 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RAC1 | P63000 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7231970 | 0.91 | MAPT (0.46) | NPC1RAB9AMMP13KDM4EALDH1A1 | |
| SCHEMBL7225759 | 0.88 | MMP13 (0.50) | NPC1RAB9AMMP13KDM4EALDH1A1 | |
| SCHEMBL7224154 | 0.87 | NPC1 (0.42) | NPC1RAB9AMMP13KDM4EALDH1A1 | |
| SCHEMBL7234393 | 0.87 | SLC9A1 (0.45) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL7226103 | 0.86 | SLC9A1 (0.47) | NPC1RAB9AALDH1A1MAPTMEN1 | |
| SCHEMBL7232692 | 0.86 | NPC1 (0.42) | NPC1RAB9AMMP13KDM4EALDH1A1 | |
| SCHEMBL7224791 | 0.86 | NPC1 (0.44) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL7225482 | 0.85 | ALDH1A1 (0.54) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL7232719 | 0.85 | NPC1 (0.43) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL7233423 | 0.85 | KDM4E (0.47) | NPC1RAB9AKDM4EALDH1A1MAPT |
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 |