Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | RAF1 | P04049 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
| ▸ | NR1I3 | Q14994 | 3/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.38 |
| ▸ | BECN1 | Q14457 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18033361 | 0.79 | CD274 (0.44) | CYP17A1CD274DRD2MAPK14CA12 | |
| SCHEMBL12687980 | 0.78 | CA12 (0.46) | CYP17A1CD274DRD2MAPK14CA12 | |
| SCHEMBL13055402 | 0.71 | CYP17A1 (0.59) | CYP17A1DRD2MAPK14CA12CA1 | |
| SCHEMBL3127225 | 0.71 | CYP17A1 (0.57) | CYP17A1DRD2MAPK14CA12CA1 | |
| SCHEMBL2748080 | 0.71 | CA12 (0.48) | CYP17A1CD274DRD2MAPK14CA12 | |
| SCHEMBL28753310 | 0.70 | CNR2 (0.43) | CYP17A1CD274DRD2MAPK14CA12 | |
| SCHEMBL408439 | 0.70 | CYP17A1 (0.59) | CYP17A1DRD2MAPK14CA12CA1 | |
| SCHEMBL7079572 | 0.70 | CYP17A1 (0.52) | CYP17A1DRD2MAPK14CA12CA1 | |
| SCHEMBL16158621 | 0.70 | CA12 (0.47) | CYP17A1DRD2MAPK14CA12CA1 | |
| SCHEMBL219325 | 0.69 | CYP17A1 (0.39) | CYP17A1CD274DRD2MAPK14CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109890385-A | Crystalline forms of (1R,2R) -2- [4- (3-methyl-1H-pyrazol-5-yl) benzoyl ] -N- (4-oxo-4, 5,6, 7-tetrahydropyrazolo [1,5-a ] pyrazin-3-yl) cyclohexanecarboxamide | 阿斯利康(瑞典)有限公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-107646036-A | Pyrazole derivatives useful as inhibitors of 5-lipoxygenase activating protein (F L AP) | 阿斯利康(瑞典)有限公司 | 2018-01-30 | — | — | CN | disclosed |