Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21769976 | 0.81 | CYP2A13 (0.50) | CYP2A13CYP2C9ALOX15HSD17B10MEN1 | |
| SCHEMBL26812028 | 0.76 | CYP2A13 (0.40) | CYP2A13MAPTKCNH2CYP2C9ALOX15 | |
| SCHEMBL15546497 | 0.75 | CYP2A13 (0.61) | CYP2A13MAPTCYP2C9ALOX15HSD17B10 | |
| SCHEMBL21756943 | 0.74 | MAPT (0.51) | CYP2A13MAPTKCNH2CYP2C9ALOX15 | |
| SCHEMBL26812751 | 0.73 | PIK3C3 (0.41) | CYP2A13MAPTKCNH2 | |
| SCHEMBL13091284 | 0.71 | KCNH2 (0.57) | CYP2A13MAPTKCNH2CYP2C9ALOX15 | |
| SCHEMBL21756947 | 0.71 | SLC6A4 (0.32) | KCNH2 | |
| SCHEMBL21756927 | 0.71 | GABRA1 (0.31) | — | |
| SCHEMBL21756926 | 0.71 | GABRA1 (0.35) | — | |
| SCHEMBL21756924 | 0.69 | GABRA1 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020039092-A2 | NOVEL AROMATIC MOLECULES | Xeniopro GmbH (DE) | 2020-02-27 | — | — | WO | disclosed |
| WO-2020039094-A1 | PHENOXY(HETERO)ARYL ETHERS OF ANTIPROLIFERATIVE ACTIVITY | Xeniopro GmbH (DE) | 2020-02-27 | — | — | WO | disclosed |
| US-9403829-B2 | Pharmaceutical compositions of 7-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-((trans)-4-methoxycyclohexyl)-3,4-dihydropyrazino [2,3-b]pyrazin-2(1H)-one, a solid form thereof and methods of their use | SIGNAL PHARMACEUTICALS, LLC (US) | 2016-08-02 | — | — | US | disclosed |