Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GALR2 | O43603 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 4/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 2/20 | 0.34 |
| ▸ | TERT | O14746 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6528279 | 0.99 | GALR2 (0.38) | GALR2PDPK1HTR1ASYKTERT | |
| SCHEMBL6529648 | 0.95 | PDPK1 (0.41) | PDPK1SRCPOLB | |
| SCHEMBL6530216 | 0.88 | NPC1 (0.38) | GALR2POLB | |
| SCHEMBL6528181 | 0.87 | TBK1 (0.35) | SYKCYP1A2CYP2D6CYP2C19CFTR | |
| SCHEMBL6528749 | 0.86 | MEN1 (0.37) | SYKCYP1A2CYP2D6CYP2C19CFTR | |
| SCHEMBL6531461 | 0.84 | EGFR (0.39) | SYKCYP1A2CYP2D6CYP2C19CFTR | |
| SCHEMBL6533478 | 0.84 | ITK (0.36) | SYKCFTRPOLB | |
| SCHEMBL6529551 | 0.83 | CHRNA7 (0.35) | SYKCFTRPOLB | |
| SCHEMBL6530876 | 0.83 | MAPT (0.38) | POLB | |
| SCHEMBL6531968 | 0.82 | POLB (0.39) | PDPK1SYKSRCPOLB |
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-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | disclosed |