Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.55 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.49 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | TEK | Q02763 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8935802 | 0.82 | CYP2A6 (0.69) | MKNK1MKNK2CYP2A6CYP3A4CYP11B1 | |
| SCHEMBL6279050 | 0.81 | CYP2A6 (0.63) | MKNK1MKNK2CYP2A6CYP3A4CYP11B1 | |
| SCHEMBL28307106 | 0.79 | NPC1 (0.46) | CYP11B1CYP11B2FYNELOVL1GPR55 | |
| SCHEMBL27902085 | 0.79 | CHEK2 (0.59) | MKNK1MKNK2CYP2A6FYN | |
| SCHEMBL26567280 | 0.77 | CYP11B2 (0.53) | MKNK1MKNK2CYP2A6CYP3A4CYP11B1 | |
| SCHEMBL24871232 | 0.76 | CYP2A6 (0.57) | MKNK1MKNK2CYP2A6CYP3A4CYP11B1 | |
| SCHEMBL15459160 | 0.76 | CYP2A6 (0.58) | MKNK1MKNK2CYP2A6CYP3A4CYP11B1 | |
| SCHEMBL18745763 | 0.76 | CYP2A6 (0.57) | MKNK1MKNK2CYP2A6CYP3A4CYP11B1 | |
| SCHEMBL15459109 | 0.76 | CYP2A6 (0.58) | MKNK1MKNK2CYP2A6CYP3A4CYP11B1 | |
| SCHEMBL15459068 | 0.76 | CYP2A6 (0.58) | MKNK1MKNK2CYP2A6CYP3A4CYP11B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106632002-A | Preparation technology of etoricoxib and reference substance 5-chloro-3-(4-(methyl sulphonyl)phenyl)-2,3-bipyridine of etoricoxib | 贵州大学 | 2017-05-10 | — | — | CN | claimed |
| CN-107847484-A | For treating the nitroxid of breathing problem | 耶路撒冷希伯来大学伊森姆研究发展公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-106632002-A | Preparation technology of etoricoxib and reference substance 5-chloro-3-(4-(methyl sulphonyl)phenyl)-2,3-bipyridine of etoricoxib | 贵州大学 | 2017-05-10 | — | — | CN | disclosed |