Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | MEP1A | Q16819 | 1/20 | 0.39 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.39 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19380498 | 0.88 | GLA (0.46) | GLAKCNJ1KCNH2FFAR1FFAR4 | |
| SCHEMBL2154019 | 0.80 | GLA (0.53) | GLAKCNJ1KCNH2FFAR1FFAR4 | |
| SCHEMBL10824278 | 0.78 | CYP2A6 (0.48) | FFAR1FFAR4CYP2A6GSK3B | |
| SCHEMBL11020423 | 0.78 | CYP2A6 (0.48) | CYP2A6 | |
| SCHEMBL4934435 | 0.77 | GLA (0.51) | GLAKCNJ1KCNH2FFAR1FFAR4 | |
| SCHEMBL126485 | 0.76 | CYP2A6 (0.56) | GLACYP2A6IDH1MEP1AMEP1B | |
| SCHEMBL18513816 | 0.75 | BACE1 (0.40) | GLAKCNJ1KCNH2FFAR1FFAR4 | |
| SCHEMBL6950852 | 0.75 | TSHR (0.52) | GLAKCNJ1KCNH2FFAR1FFAR4 | |
| SCHEMBL21736918 | 0.74 | PDE3B (0.35) | GLACYP2A6GAA | |
| SCHEMBL16956873 | 0.74 | SNCA (0.41) | CYP2A6CYP11B1CYP11B2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3334717-B1 | ARYL-SUBSTITUTED DIHYDROQUINOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS | NEOMED INST (CA) | 2020-07-01 | — | — | EP | disclosed |