Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | BCHE | P06276 | 8/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL2539860 | 0.94 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2ABCHEKDM4E | |
| SCHEMBL5947222 | 0.84 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2ABCHEKDM4E | |
| SCHEMBL5947718 | 0.83 | BCHE (0.72) | ALDH1A1MEN1KMT2ABCHEKDM4E | |
| SCHEMBL6742452 | 0.83 | CYP1A2 (0.60) | ALDH1A1MEN1KMT2AKDM4ECYP1A2 | |
| SCHEMBL30338402 | 0.82 | KDM4E (0.66) | ALDH1A1MEN1KMT2AKDM4ECYP1A2 | |
| SCHEMBL5575878 | 0.82 | KDM4E (0.66) | ALDH1A1MEN1KMT2AKDM4ECYP1A2 | |
| SCHEMBL5947526 | 0.81 | BCHE (0.62) | ALDH1A1MEN1KMT2ABCHEKDM4E | |
| SCHEMBL5947383 | 0.81 | BCHE (0.52) | ALDH1A1MEN1KMT2ABCHEKDM4E | |
| SCHEMBL5947260 | 0.80 | BCHE (0.68) | ALDH1A1MEN1KMT2ABCHEKDM4E | |
| SCHEMBL18768781 | 0.80 | KDM4E (0.56) | ALDH1A1MEN1KMT2AKDM4ECYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1610547-A | N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor | LILLY CO ELI (US) | 2005-04-27 | — | — | CN | disclosed |