Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.40 |
| ▸ | KIF11 | P52732 | 3/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 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 | |
|---|---|---|---|---|
| SCHEMBL4063599 | 0.81 | CYP2C19 (0.44) | CYP1A2CYP2D6OPRM1KIF11DRD3 | |
| SCHEMBL3364484 | 0.78 | MAPT (0.52) | CYP2D6KIF11KCNH2CHRM1CHRM4 | |
| SCHEMBL13379448 | 0.78 | CYP2D6 (0.43) | CYP1A2CYP2D6OPRM1KIF11GRIN2D | |
| SCHEMBL15113873 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19HIF1APTPN1 | |
| SCHEMBL10779190 | 0.76 | CES1 (0.53) | CHRM1CHRM4CHRM5CYP2C19HIF1A | |
| SCHEMBL27792551 | 0.75 | KCNN4 (0.43) | CHRM1CHRM4CHRM5CYP2C19HIF1A | |
| SCHEMBL888776 | 0.73 | CYP1A2 (0.42) | CYP1A2CYP2D6KIF11CYP2C19HIF1A | |
| SCHEMBL19464816 | 0.72 | KCNN4 (0.52) | CYP1A2CYP2D6OPRM1KIF11GRIN2D | |
| SCHEMBL12824175 | 0.71 | CES1 (0.40) | CYP1A2CYP2D6OPRM1KIF11GRIN2D | |
| SCHEMBL888777 | 0.71 | MAPT (0.57) | CYP1A2CYP2D6KIF11CYP2C19HIF1A |
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-2809660-B1 | MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 | ENSEMBLE THERAPEUTICS CORP (US) | 2016-01-20 | — | — | EP | disclosed |