Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 4/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21065109 | 1.00 | HCRTR2 (0.47) | HCRTR2HCRTR1CHRNB2CHRNA4IRAK4 | |
| SCHEMBL3852338 | 0.89 | CHRNB2 (0.47) | HCRTR2HCRTR1CHRNB2CHRNA4IRAK4 | |
| SCHEMBL3852340 | 0.89 | CHRNB2 (0.47) | HCRTR2HCRTR1CHRNB2CHRNA4IRAK4 | |
| SCHEMBL21065180 | 0.87 | HCRTR1 (0.47) | HCRTR2HCRTR1CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL21065184 | 0.87 | HCRTR1 (0.47) | HCRTR2HCRTR1CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL3918221 | 0.83 | CHRNB2 (0.50) | CHRNB2CHRNA4IRAK4CHRM5CHRM3 | |
| SCHEMBL3922331 | 0.83 | CHRNB2 (0.50) | CHRNB2CHRNA4IRAK4CHRM5CHRM3 | |
| SCHEMBL3922338 | 0.81 | CHRNB2 (0.50) | CHRNB2CHRNA4IRAK4PDCD1LG2CD274 | |
| SCHEMBL3919389 | 0.81 | CHRNB2 (0.50) | CHRNB2CHRNA4IRAK4PDCD1LG2CD274 | |
| SCHEMBL3930353 | 0.80 | CHRNB2 (0.47) | CHRNB2CHRNA4IRAK4CHRM5CHRM3 |
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-2906553-B1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-06-26 | — | — | EP | disclosed |