Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6731647 | 0.95 | ADORA3 (0.41) | ADORA3KDM4EMAPTPOLBKMT2A | |
| SCHEMBL9726388 | 0.94 | KDM4E (0.41) | ADORA3KDM4EMAPTPOLBKMT2A | |
| SCHEMBL9726295 | 0.88 | MAPK1 (0.31) | — | |
| SCHEMBL9726407 | 0.86 | KDM4E (0.41) | ADORA3KDM4EMAPTPOLBKMT2A | |
| SCHEMBL27692999 | 0.86 | — | — | |
| SCHEMBL9726286 | 0.84 | KDM4E (0.40) | ADORA3KDM4EMAPTPOLBKMT2A | |
| SCHEMBL9588052 | 0.84 | LMNA (0.33) | KMT2ANPC1LMNA | |
| SCHEMBL9726327 | 0.82 | KDM4E (0.39) | ADORA3KDM4EMAPTPOLBKMT2A | |
| SCHEMBL10688342 | 0.82 | KDM4E (0.44) | ADORA3KDM4EMAPTPOLBKMT2A | |
| SCHEMBL9726369 | 0.82 | KDM4E (0.39) | KDM4EMAPTPOLBKMT2ARORC |
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-106810493-A | A kind of method for preparing the dicarboxylic ester of 2 trifluoromethyl, 6 difluoromethyl pyridine 3,5 | 迈克斯(如东)化工有限公司 | 2017-06-09 | — | — | CN | disclosed |