Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.31 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16435776 | 0.84 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2CA2POLBTYR | |
| SCHEMBL752725 | 0.78 | HDAC1 (0.39) | — | |
| SCHEMBL17207221 | 0.77 | SMN1; SMN2 (0.50) | ALDH1A1SMN1; SMN2CA2POLBTYR | |
| SCHEMBL21691956 | 0.77 | TTR (0.40) | ALDH1A1SMN1; SMN2CA2POLBTYR | |
| SCHEMBL17207226 | 0.77 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2CA2POLBTYR | |
| SCHEMBL15709742 | 0.77 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2CA2POLBTYR | |
| SCHEMBL21765275 | 0.75 | GABRA1 (0.33) | — | |
| SCHEMBL25696416 | 0.74 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2CA2POLBTYR | |
| SCHEMBL22380067 | 0.74 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2CA2POLBTYR | |
| SCHEMBL13990327 | 0.73 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2CA2POLBTYR |
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 2 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 |
| 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 |