Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP4A | P20648 | 1/20 | 0.37 |
| ▸ | ATP4B | P51164 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 5/20 | 0.36 |
| ▸ | CNR1 | P21554 | 4/20 | 0.36 |
| ▸ | ATG7 | O95352 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 4/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.32 |
| ▸ | HTR2A | P28223 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | MGMT | P16455 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 3/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19216319 | 0.87 | ATP4A (0.40) | ATP4AATP4BCNR2CNR1ACHE | |
| SCHEMBL19216148 | 0.86 | JAK1 (0.40) | ATP4AATP4B | |
| SCHEMBL16126336 | 0.86 | JAK1 (0.40) | ATP4AATP4B | |
| SCHEMBL16126343 | 0.86 | JAK1 (0.40) | ATP4AATP4B | |
| SCHEMBL18093761 | 0.83 | ATP4A (0.38) | ATP4AATP4BCNR2CNR1ATG7 | |
| SCHEMBL18093760 | 0.83 | ATP4A (0.38) | ATP4AATP4BCNR2CNR1ATG7 | |
| SCHEMBL20097604 | 0.80 | ATP4A (0.37) | ATP4AATP4BCNR2CNR1ATG7 | |
| SCHEMBL18093926 | 0.80 | ATP4A (0.39) | ATP4AATP4BCNR2CNR1ATG7 | |
| SCHEMBL18093872 | 0.80 | ATP4A (0.39) | ATP4AATP4BCNR2CNR1ATG7 | |
| SCHEMBL16101865 | 0.80 | ATP4A (0.39) | ATP4AATP4BCNR2CNR1ATG7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2976340-B1 | CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-06-13 | — | — | EP | disclosed |
| US-9725445-B2 | Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-08 | — | — | US | disclosed |