Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | KCNQ3 | O43525 | 6/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 6/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.41 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 2/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 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 | |
|---|---|---|---|---|
| SCHEMBL28675927 | 0.91 | NTRK1 (0.41) | CES1AURKAAURKBNPC1RAB9A | |
| SCHEMBL28677736 | 0.88 | KDR (0.49) | KCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL28679461 | 0.88 | BRAF (0.49) | KCNQ3KCNQ2KCNE1KCNQ1AURKA | |
| SCHEMBL28662380 | 0.88 | POLB (0.45) | MAPTPOLB | |
| SCHEMBL28661015 | 0.86 | KDR (0.46) | AURKARPS6KB1GRM4 | |
| SCHEMBL28930236 | 0.84 | KDR (0.52) | — | |
| SCHEMBL28688944 | 0.83 | KDR (0.49) | MAPTPOLB | |
| SCHEMBL28688936 | 0.82 | KDR (0.49) | MAPTPOLB | |
| SCHEMBL28666427 | 0.82 | KDR (0.49) | — | |
| SCHEMBL28674398 | 0.78 | KDR (0.48) | AURKBMAPTHTT |
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-109071543-B | Pyridine derivatives inhibiting RAF kinase and vascular endothelial growth factor receptor, process for their preparation, pharmaceutical compositions containing them and their use | 三进制药株式会社 | 2021-07-16 | — | — | CN | claimed |