Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.42 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 8/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7651640 | 0.91 | HTR7 (0.54) | HTR7HTR1ADRD2HRH1HTR2B | |
| SCHEMBL7648778 | 0.82 | KDM4E (0.53) | ALDH1A1CYP1A2CYP2D6CYP2C19EPHX2 | |
| SCHEMBL2168243 | 0.74 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19HTR7 | |
| SCHEMBL7651469 | 0.74 | HTR7 (0.63) | CYP1A2CYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL7648765 | 0.71 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2AHTR7HTR1A | |
| SCHEMBL7654287 | 0.71 | HSD17B10 (0.68) | ALDH1A1CYP1A2CYP2D6CYP2C19HTR7 | |
| SCHEMBL4682788 | 0.70 | NPC1 (0.47) | ALDH1A1CYP2C19KMT2AMAPK13MAPK12 | |
| SCHEMBL11530025 | 0.70 | KMT2A (0.82) | ALDH1A1EPHX2MEN1KMT2AHTR7 | |
| SCHEMBL7647665 | 0.70 | HTR7 (0.52) | HTR7HTR1ADRD2HRH1HTR2B | |
| SCHEMBL14426918 | 0.69 | NPC1 (0.50) | ALDH1A1CYP2D6CYP2C19KMT2AKEAP1 |
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-6239143-B1 | TREATMENT CNS DISORDERS SUCH AS ANXIETY, DEPRESSION, SLEEP DISORDERS, AND SCHIZOPHRENIA. | DUPONT PHARMACEUTICALS COMPANY | 2001-05-29 | — | — | US | disclosed |