Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.40 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL20710755 | 0.84 | CYP2A6 (0.48) | CETPCYP1A2CYP2A6TDP1KDM4E | |
| SCHEMBL445915 | 0.82 | LTA4H (0.53) | CYP1A2TDP1MAPK1CYP3A4CYP2C9 | |
| SCHEMBL11748365 | 0.82 | NPC1 (0.45) | CYP1A2CYP2A6TDP1KDM4EMAPK1 | |
| SCHEMBL430999 | 0.79 | LTA4H (0.53) | CYP1A2TDP1MAPK1CYP3A4CYP2C9 | |
| SCHEMBL29666114 | 0.78 | TDP1 (0.68) | CYP1A2CYP2A6TDP1KDM4EMAPK1 | |
| SCHEMBL470925 | 0.78 | TDP1 (0.68) | CYP1A2CYP2A6TDP1KDM4EMAPK1 | |
| SCHEMBL3960261 | 0.78 | CYP2A6 (0.56) | CYP1A2CYP2A6TDP1KDM4EMAPK1 | |
| SCHEMBL19904727 | 0.78 | MAOB (0.40) | CYP1A2CYP2C9CYP2C19LTA4H | |
| SCHEMBL19904747 | 0.78 | MAOB (0.39) | CYP1A2KDM4ECYP2C19RAB9ALTA4H | |
| SCHEMBL991869 | 0.77 | LTA4H (0.53) | MAPK1CYP3A4DRD3HRH3LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| EP-2097428-B1 | BUTYRYLCHOLINESTERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | MGP BIOTECHNOLOGIES INC (US) | 2018-02-28 | — | — | EP | disclosed |