Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.59 |
| ▸ | HTR2B | P41595 | 2/20 | 0.59 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.59 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.52 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21691070 | 0.84 | LMNA (0.42) | LMNASLC6A2HTR2BTRPA1CHRM1 | |
| SCHEMBL4932372 | 0.82 | GABRA1 (0.58) | LMNASLC6A2HTR2BTRPA1CHRM1 | |
| SCHEMBL4905949 | 0.79 | TSHR (0.57) | LMNASLC6A2HTR2BTRPA1CHRM1 | |
| SCHEMBL12197671 | 0.78 | GABRA1 (0.52) | LMNASLC6A2HTR2BTRPA1CHRM1 | |
| SCHEMBL19028073 | 0.78 | PTGS2 (0.45) | LMNASLC6A2HTR2BTRPA1CHRM1 | |
| SCHEMBL16860570 | 0.76 | GABRA1 (0.44) | LMNASLC6A2HTR2BTRPA1CHRM1 | |
| SCHEMBL16528005 | 0.76 | LMNA (0.64) | LMNASLC6A2HTR2BTRPA1CHRM1 | |
| SCHEMBL29446964 | 0.76 | LMNA (0.64) | LMNASLC6A2HTR2BTRPA1CHRM1 | |
| SCHEMBL383417 | 0.76 | LMNA (0.64) | LMNASLC6A2HTR2BTRPA1CHRM1 | |
| SCHEMBL771497 | 0.74 | LMNA (0.61) | LMNASLC6A2HTR2BTRPA1CHRM1 |
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 |