Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | MELK | Q14680 | 1/20 | 0.39 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | F2 | P00734 | 2/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL16623589 | 0.73 | EGFR (0.43) | AURKAAURKBINCENPPARP1RECQL | |
| SCHEMBL16623559 | 0.72 | GABRP (0.34) | PARP1RECQLTDP1JAK2RPS6KA3 | |
| SCHEMBL20311130 | 0.71 | EGFR (0.44) | PARP1JAK2EGFRMAPTKDM4E | |
| SCHEMBL17849234 | 0.71 | JAK2 (0.38) | JAK2 | |
| SCHEMBL16623523 | 0.70 | HPGD (0.33) | EGFRHPGD | |
| SCHEMBL4850718 | 0.70 | — | — | |
| SCHEMBL17005899 | 0.70 | — | — | |
| SCHEMBL5111881 | 0.69 | — | — | |
| SCHEMBL23920639 | 0.68 | EGFR (0.48) | AURKAAURKBINCENPPARP1RECQL | |
| Hydrochloric Acid SCHEMBL31514840 | 0.68 | AURKA (0.46) | AURKAAURKBINCENPPARP1RECQL |
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 |
| EP-2857400-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-04-08 | — | — | EP | disclosed |