Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP4A | P20648 | 1/20 | 0.37 |
| ▸ | ATP4B | P51164 | 1/20 | 0.37 |
| ▸ | MGMT | P16455 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 3/20 | 0.34 |
| ▸ | CNR2 | P34972 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.32 |
| ▸ | ATG7 | O95352 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20310993 | 0.88 | ATP4A (0.35) | ATP4AATP4BMGMTCNR1CNR2 | |
| SCHEMBL19216319 | 0.87 | ATP4A (0.40) | ATP4AATP4BMGMTCNR1CNR2 | |
| SCHEMBL16102315 | 0.86 | JAK2 (0.46) | ATP4AATP4BJAK2JAK1 | |
| SCHEMBL18084498 | 0.86 | JAK2 (0.46) | ATP4AATP4BJAK2JAK1 | |
| SCHEMBL18084491 | 0.86 | JAK2 (0.46) | ATP4AATP4BJAK2JAK1 | |
| SCHEMBL16103072 | 0.86 | JAK2 (0.46) | ATP4AATP4BJAK2JAK1 | |
| SCHEMBL16121007 | 0.86 | JAK2 (0.46) | ATP4AATP4BJAK2JAK1 | |
| SCHEMBL16121008 | 0.82 | JAK2 (0.41) | ATP4AATP4BJAK2JAK1 | |
| SCHEMBL16121108 | 0.82 | JAK2 (0.41) | ATP4AATP4BJAK2JAK1 | |
| SCHEMBL16103414 | 0.82 | JAK2 (0.41) | ATP4AATP4BJAK2JAK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9957265-B2 | N-(2-cyano heterocyclyl) pyrazolo pyridones as janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-05-01 | — | — | US | disclosed |