Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 5/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CCNK | O75909 | 2/20 | 0.34 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 2/20 | 0.32 |
| ▸ | EPHB3 | P54753 | 1/20 | 0.32 |
| ▸ | KHK | P50053 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2230590 | 0.74 | DYRK1A (0.35) | DYRK1ACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2348079 | 0.74 | RPS6KA5 (0.42) | DYRK1ACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2364574 | 0.74 | PIK3CD (0.33) | DYRK1AEPHB3 | |
| SCHEMBL2231287 | 0.74 | ACVR2A (0.39) | DYRK1ACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2233315 | 0.73 | JAK2 (0.52) | — | |
| SCHEMBL2233311 | 0.73 | JAK2 (0.52) | — | |
| SCHEMBL16503561 | 0.70 | RPS6KA5 (0.36) | DYRK1AEPHB3KDM4E | |
| SCHEMBL12454266 | 0.70 | PIM1 (0.38) | DYRK1APIM1CCNKCDK12 | |
| SCHEMBL2233691 | 0.69 | MAPT (0.36) | DYRK1AEPHB3KDM4E | |
| SCHEMBL2235880 | 0.68 | NUDT1 (0.45) | DYRK1ACYP1A2CYP3A4CYP2D6CYP2C19 |
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-2536728-A1 | PYRAZOLE DERIVATIVES AS JAK INHIBITORS | Almirall S.A. (ES) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011101161-A1 | PYRAZOLE DERIVATIVES AS JAK INHIBITORS | ALMIRALL, S.A. (ES) | 2011-08-25 | — | — | WO | disclosed |