Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL2367319 | 0.90 | KCNH2 (0.34) | NISCHKCNH2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL7492049 | 0.79 | — | — | |
| SCHEMBL14993535 | 0.73 | — | — | |
| SCHEMBL113573 | 0.73 | — | — | |
| SCHEMBL4613968 | 0.72 | NISCH (0.35) | NISCH | |
| SCHEMBL14993023 | 0.70 | NISCH (0.39) | NISCH | |
| SCHEMBL29957 | 0.70 | NISCH (0.39) | NISCH | |
| SCHEMBL15526124 | 0.70 | NISCH (0.39) | NISCH | |
| SCHEMBL11547718 | 0.69 | NISCH (0.31) | NISCH | |
| SCHEMBL9022039 | 0.69 | — | — |
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-2021226135-A1 | HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE | AMGEN INC. (US) | 2021-11-11 | — | — | WO | disclosed |
| WO-2017011531-A2 | ORGANIC LIGHT-EMITTING DIODE MATERIALS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-01-19 | — | — | WO | disclosed |
| EP-0417630-A2 | Condensed diazepinones, process for their preparation, and medicaments containing these compounds | Dr. Karl Thomae GmbH (DE) | 1991-03-20 | — | — | EP | disclosed |