Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | MC3R | P41968 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | ASPH | Q12797 | 2/20 | 0.37 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.37 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.36 |
| ▸ | P4HA1 | P13674 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 10/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29447022 | 0.94 | SIRT6 (0.52) | SIRT6ADORA3TSHRMC4RADRA1A | |
| SCHEMBL15352404 | 0.94 | SIRT6 (0.52) | SIRT6ADORA3TSHRMC4RADRA1A | |
| SCHEMBL29447044 | 0.93 | KDM4E (0.42) | SIRT6KDM4ENAPRTHCAR2ASPH | |
| SCHEMBL990507 | 0.93 | KDM4E (0.42) | SIRT6KDM4ENAPRTHCAR2ASPH | |
| Trifluoroacetic Acid SCHEMBL30088405 | 0.88 | SIRT6 (0.43) | SIRT6ADORA3TSHRMC4RADRA1A | |
| SCHEMBL17712841 | 0.82 | SIRT6 (0.64) | SIRT6ADORA3TSHRMC4RADRA1A | |
| 2-Picolinic Acid SCHEMBL28871212 | 0.79 | P4HTM (0.61) | KMT2AKDM4ENAPRTHCAR2P4HTM | |
| SCHEMBL15360279 | 0.78 | KDM4E (0.39) | SIRT6TSHRKMT2AKDM4ENAPRT | |
| SCHEMBL2635320 | 0.76 | SIRT6 (0.73) | SIRT6ADORA3TSHRMC4RADRA1A | |
| SCHEMBL2628913 | 0.76 | SIRT6 (0.52) | SIRT6ADORA3TSHRMC4RADRA1A |
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-104245680-B | Process for producing 5- (difluoromethyl) pyrazine-2-carboxylic acid and production intermediate thereof | 卫材R&D管理有限公司 | 2016-11-23 | — | — | CN | disclosed |