Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | NLRP1 | Q9C000 | 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 | |
|---|---|---|---|---|
| SCHEMBL23158861 | 0.85 | ESR2 (0.41) | ALDH1A1SMN1; SMN2TEAD4MAPTTDP1 | |
| SCHEMBL21765332 | 0.84 | MAPT (0.45) | ALDH1A1SMN1; SMN2TEAD4MAPTTDP1 | |
| SCHEMBL31457276 | 0.79 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2TEAD4MAPTTDP1 | |
| SCHEMBL1155719 | 0.79 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2TEAD4MAPTTDP1 | |
| SCHEMBL9076164 | 0.78 | TEAD4 (0.41) | ALDH1A1SMN1; SMN2TEAD4MAPTTDP1 | |
| SCHEMBL29510593 | 0.78 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2TEAD4MAPTTDP1 | |
| SCHEMBL1810759 | 0.78 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2TEAD4MAPTTDP1 | |
| SCHEMBL21756941 | 0.78 | MAPT (0.45) | ALDH1A1SMN1; SMN2MAPTTDP1POLB | |
| SCHEMBL21770055 | 0.77 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2TEAD4MAPTTDP1 | |
| SCHEMBL2992329 | 0.77 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2TEAD4MAPTTDP1 |
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-2020039088-A2 | NOVEL COMPOUNDS | Xeniopro GmbH (DE) | 2020-02-27 | — | — | WO | disclosed |
| 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 |