Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 5/20 | 0.40 |
| ▸ | CNR1 | P21554 | 4/20 | 0.40 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | ATP4A | P20648 | 1/20 | 0.40 |
| ▸ | ATP4B | P51164 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 2/20 | 0.40 |
| ▸ | HCK | P08631 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | MERTK | Q12866 | 1/20 | 0.37 |
| ▸ | MGMT | P16455 | 2/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 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 | |
|---|---|---|---|---|
| SCHEMBL20246244 | 0.79 | ATP4A (0.40) | HTR2CSLC6A4HTR2ACNR2CNR1 | |
| SCHEMBL20246236 | 0.78 | CNR2 (0.42) | HTR2CSLC6A4HTR2ACNR2CNR1 | |
| SCHEMBL18093760 | 0.76 | ATP4A (0.38) | CNR2CNR1ACHEATP4AATP4B | |
| SCHEMBL18093761 | 0.76 | ATP4A (0.38) | CNR2CNR1ACHEATP4AATP4B | |
| SCHEMBL19216319 | 0.75 | ATP4A (0.40) | HTR2CSLC6A4HTR2ACNR2CNR1 | |
| SCHEMBL20246376 | 0.75 | ATP4A (0.38) | CNR2CNR1ACHEATP4AATP4B | |
| SCHEMBL16102744 | 0.74 | EGFR (0.37) | HTR2CSLC6A4HTR2ACNR2CNR1 | |
| SCHEMBL16102664 | 0.73 | ALDH1A1 (0.37) | CNR2CNR1ACHEATP4AATP4B | |
| SCHEMBL16105046 | 0.73 | JAK2 (0.42) | ATP4AATP4B | |
| SCHEMBL16126507 | 0.73 | ATP4A (0.40) | ATP4AATP4BIGF1R |
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-2976341-B1 | ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-02-28 | — | — | EP | disclosed |