Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 3/20 | 0.58 |
| ▸ | AURKA | O14965 | 2/20 | 0.58 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.58 |
| ▸ | TPX2 | Q9ULW0 | 2/20 | 0.58 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.51 |
| ▸ | JAK2 | O60674 | 8/20 | 0.48 |
| ▸ | JAK1 | P23458 | 7/20 | 0.48 |
| ▸ | JAK3 | P52333 | 5/20 | 0.48 |
| ▸ | TYK2 | P29597 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.48 |
| ▸ | CIT | O14578 | 6/20 | 0.46 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL100267 | 0.89 | AURKB (0.60) | AURKBAURKAINCENPTPX2GRM4 | |
| SCHEMBL100113 | 0.89 | AURKB (0.60) | AURKBAURKAINCENPTPX2GRM4 | |
| SCHEMBL99168 | 0.89 | AURKB (0.60) | AURKBAURKAINCENPTPX2GRM4 | |
| SCHEMBL99958 | 0.88 | AURKB (0.59) | AURKBAURKAINCENPTPX2GRM4 | |
| Nitrous Acid SCHEMBL100612 | 0.87 | AURKA (0.56) | AURKBAURKAINCENPTPX2GRM4 | |
| SCHEMBL14500069 | 0.86 | AURKB (0.63) | AURKBAURKAINCENPTPX2GRM4 | |
| SCHEMBL29541199 | 0.86 | AURKB (0.63) | AURKBAURKAINCENPTPX2GRM4 | |
| SCHEMBL14500070 | 0.86 | AURKB (0.63) | AURKBAURKAINCENPTPX2GRM4 | |
| SCHEMBL101331 | 0.86 | AURKB (0.63) | AURKBAURKAINCENPTPX2GRM4 | |
| SCHEMBL101274 | 0.86 | AURKB (0.57) | AURKBAURKAINCENPTPX2GRM4 |
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-3466953-B1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR | INCYTE HOLDINGS CORP (US) | 2021-02-03 | — | — | EP | disclosed |