Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 2/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TNKS | O95271 | 2/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | GUSB | P08236 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14347584 | 0.84 | DAO (0.46) | DAODYRK1ACA12CA9KDM4E | |
| SCHEMBL14843788 | 0.77 | PARP1 (0.49) | DAODYRK1ACA12CA9KDM4E | |
| SCHEMBL29760362 | 0.77 | PARP1 (0.49) | DAODYRK1ACA12CA9KDM4E | |
| SCHEMBL15367263 | 0.76 | PKM (0.46) | DAODYRK1ACA12CA9KDM4E | |
| SCHEMBL26086462 | 0.75 | KDM4E (0.53) | KDM4ETNKSPARP1SMN1; SMN2HSD17B10 | |
| SCHEMBL14374778 | 0.74 | RXFP1 (0.43) | DAODYRK1ACA12CA9KDM4E | |
| SCHEMBL3486614 | 0.73 | KDM4E (0.59) | DAODYRK1ACA12CA9KDM4E | |
| SCHEMBL14347516 | 0.72 | SMN1; SMN2 (0.50) | KDM4EPARP1SMN1; SMN2HSD17B10ALDH1A1 | |
| SCHEMBL22573290 | 0.71 | KDM4E (0.55) | DAODYRK1ACA12CA9KDM4E | |
| SCHEMBL15491565 | 0.71 | KDM4E (0.69) | DAODYRK1ACA12CA9KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-103524430-A | 4-(trans-4-substituted-3-butylene-1-alkynyl)-4-trifluoromethyl-3,4-dihydro substituted quinazoline-2(1H)-ketone compounds, and preparation method and application thereof | UNIV TIANJIN | 2014-01-22 | — | — | CN | disclosed |