Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16960235 | 0.78 | TRPA1 (0.48) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL21765348 | 0.78 | GABRA1 (0.34) | GABRA1GABRB1GABRB2CA1CA2 | |
| SCHEMBL10094428 | 0.77 | F2RL1 (0.43) | SLC6A2 | |
| SCHEMBL16960232 | 0.77 | TRPA1 (0.31) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL26080932 | 0.77 | PTGDR2 (0.42) | GABRA1GABRB1LMNASLC6A2HTR2B | |
| SCHEMBL16955226 | 0.74 | ADRA2A (0.30) | — | |
| SCHEMBL16955223 | 0.74 | RARG (0.33) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL12699397 | 0.74 | HTR2C (0.38) | CA1CA2 | |
| SCHEMBL16958939 | 0.73 | ALDH1A1 (0.33) | TRPA1 | |
| SCHEMBL16955298 | 0.73 | SLC6A2 (0.37) | GABRA1TRPA1LMNACHRM1SLC6A2 |
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 |