Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | MAP4K1 | Q92918 | 5/20 | 0.40 |
| ▸ | JAK3 | P52333 | 6/20 | 0.39 |
| ▸ | JAK2 | O60674 | 5/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20184582 | 0.86 | JAK2 (0.52) | JAK3JAK2 | |
| SCHEMBL20184357 | 0.86 | CHUK (0.47) | JAK3JAK2CSNK2A1ABL1CLK4 | |
| SCHEMBL20184387 | 0.85 | GPR84 (0.45) | JAK3JAK2ALDH1A1MAPK1KDM4E | |
| SCHEMBL20184527 | 0.85 | JAK2 (0.49) | JAK3JAK2 | |
| SCHEMBL20184337 | 0.85 | JAK2 (0.43) | JAK3JAK2ALDH1A1HPGDKDM4E | |
| SCHEMBL20184489 | 0.85 | JAK2 (0.51) | JAK3JAK2AXL | |
| SCHEMBL20184525 | 0.85 | JAK2 (0.49) | JAK3JAK2KDM4EAXL | |
| SCHEMBL20184555 | 0.84 | HSP90AB1 (0.43) | JAK3JAK2 | |
| SCHEMBL20184700 | 0.84 | JAK2 (0.40) | JAK3JAK2 | |
| SCHEMBL20184538 | 0.82 | JAK2 (0.39) | JAK3JAK2ABL1 |
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-2788000-B1 | PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-05-30 | — | — | EP | claimed |