Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.36 |
| ▸ | HTR7 | P34969 | 3/20 | 0.35 |
| ▸ | HTR5A | P47898 | 3/20 | 0.35 |
| ▸ | HTR3A | P46098 | 3/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | HTR1D | P28221 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12788173 | 0.77 | AHR (0.51) | AHRNOS3NOS1NOS2NOTUM | |
| SCHEMBL3068531 | 0.75 | AHR (0.56) | AHRSRD5A1HTR7HTR5AHTR3A | |
| SCHEMBL5102001 | 0.73 | AHR (0.55) | AHRALDH1A1SRD5A1CMA1PGR | |
| SCHEMBL1700420 | 0.72 | AHR (0.43) | AHRNOS3NOS1NOS2NOTUM | |
| SCHEMBL13885026 | 0.71 | AHR (0.51) | AHRLRRK2NOTUMSRD5A1HTR7 | |
| SCHEMBL14665416 | 0.70 | AHR (0.42) | AHRNOTUMSRD5A1HTR7HTR5A | |
| SCHEMBL160943 | 0.69 | HTR2A (0.55) | NOTUMDRD4HTR2AHTR2CHTR2B | |
| SCHEMBL13068353 | 0.68 | CRHR1 (0.43) | AHRNOTUMHTR7HRH3CMA1 | |
| SCHEMBL14698684 | 0.68 | AHR (0.59) | AHRSRD5A1HTR7HTR5AHTR3A | |
| SCHEMBL5107807 | 0.68 | AHR (0.60) | AHRNOS3NOS1NOS2HTR7 |
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-3134408-B1 | FACTOR XIa INHIBITORS | MERCK SHARP & DOHME (US) | 2020-08-12 | — | — | EP | disclosed |