Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | PTGES | O14684 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 9/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9623383 | 0.84 | ESR2 (0.52) | CYP1A2ESR1ESR2DYRK1AKDM4E | |
| SCHEMBL13534212 | 0.83 | ESR1 (0.43) | CYP1A2CYP2A6PTGESESR1ESR2 | |
| SCHEMBL597701 | 0.79 | CYP1A2 (0.60) | CYP1A2CYP2A6RAPGEF4KDM4EALDH1A1 | |
| SCHEMBL15869807 | 0.76 | CYP1A2 (0.52) | CYP1A2CYP2A6ESR1ESR2KDM4E | |
| SCHEMBL29276380 | 0.75 | CYP1A2 (0.45) | CYP1A2CYP2A6ESR2KDM4EALDH1A1 | |
| SCHEMBL12787309 | 0.75 | PTGES (0.55) | CYP1A2PTGESESR1ESR2RAPGEF4 | |
| SCHEMBL12962944 | 0.74 | CYP1A2 (0.52) | CYP1A2CYP2A6ESR1ESR2DYRK1A | |
| SCHEMBL1402659 | 0.74 | CYP1A2 (0.63) | CYP1A2CYP2A6ESR1ESR2ALDH1A1 | |
| SCHEMBL21240955 | 0.74 | CYP2A6 (0.54) | CYP1A2CYP2A6RAPGEF4KDM4EALDH1A1 | |
| SCHEMBL806482 | 0.74 | ESR1 (0.43) | CYP1A2PTGESESR1ESR2DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012036253-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-22 | — | — | WO | disclosed |