Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CASP6 | P55212 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14299249 | 0.83 | CHEK1 (0.51) | HDAC8CHEK1AURKADAPK3CSNK1A1 | |
| SCHEMBL19258971 | 0.72 | RPS6KA5 (0.36) | KDM4E | |
| SCHEMBL7927906 | 0.72 | HDAC8 (0.39) | HDAC8CYP1A2KDM4ELMNAPOLB | |
| SCHEMBL19258951 | 0.64 | GRIN2B (0.33) | — | |
| SCHEMBL10124285 | 0.63 | NR3C1 (0.50) | CYP1A2 | |
| SCHEMBL19258966 | 0.61 | ALDH1A1 (0.35) | KDM4EPOLB | |
| SCHEMBL15345018 | 0.60 | ALOX15 (0.50) | HDAC8LMNA | |
| SCHEMBL7512293 | 0.60 | CYP1A2 (0.59) | CYP1A2KDM4ELMNAPOLBCASP6 | |
| SCHEMBL21241066 | 0.59 | — | — | |
| SCHEMBL21874171 | 0.59 | CHEK1 (0.41) | HDAC8CHEK1AURKADAPK3CSNK1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017133657-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA | SAVIRA PHARMACEUTICALS GMBH (AT) | 2017-08-10 | — | — | WO | disclosed |