Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.69 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | NAMPT | P43490 | 1/20 | 0.52 |
| ▸ | PTAFR | P25105 | 3/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.49 |
| ▸ | FES | P07332 | 1/20 | 0.49 |
| ▸ | RET | P07949 | 1/20 | 0.49 |
| ▸ | MARK3 | P27448 | 1/20 | 0.49 |
| ▸ | TYK2 | P29597 | 1/20 | 0.49 |
| ▸ | FLT4 | P35916 | 1/20 | 0.49 |
| ▸ | SYK | P43405 | 1/20 | 0.49 |
| ▸ | CLK2 | P49760 | 1/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29357760 | 1.00 | CYP3A4 (0.69) | CYP3A4EPHX2NAMPTPTAFRCHRNA7 | |
| SCHEMBL27507343 | 0.96 | CYP3A4 (0.71) | CYP3A4NAMPTPTAFRTBXAS1FES | |
| SCHEMBL23291173 | 0.85 | CYP3A4 (0.56) | CYP3A4NAMPTCHRNA7FAAH | |
| SCHEMBL479925 | 0.83 | CYP3A4 (0.72) | CYP3A4NAMPTFESRETMARK3 | |
| SCHEMBL8129760 | 0.83 | CYP3A4 (0.52) | CYP3A4SIGMAR1 | |
| SCHEMBL21591485 | 0.83 | CYP3A4 (0.52) | CYP3A4SIGMAR1 | |
| SCHEMBL4583683 | 0.83 | POLB (0.65) | EPHX2SIGMAR1 | |
| SCHEMBL20715219 | 0.82 | CYP3A4 (1.00) | CYP3A4NAMPTFESRETMARK3 | |
| SCHEMBL23928824 | 0.82 | CYP3A4 (0.60) | CYP3A4NAMPTPTAFRALDH1A1FAAH | |
| SCHEMBL17196024 | 0.82 | CYP3A4 (0.48) | CYP3A4SIGMAR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018091598-A2 | TREATMENT OF NEURODEGENERATIVE DISEASES | ICM (INSTITUT DU CERVEAU ET DE LA MOELLE ÉPINIÈRE) (FR) | 2018-05-24 | — | — | WO | disclosed |
| EP-3323415-A1 | TREATMENT OF NEURODEGENERATIVE DISEASES | Institut du Cerveau et de la Moelle Epiniere-ICM (FR) | 2018-05-23 | — | — | EP | disclosed |
| EP-1915363-A1 | OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS | AstraZeneca AB (SE) | 2008-04-30 | — | — | EP | disclosed |
| WO-2007018469-A1 | OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | WO | disclosed |