Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | ITGAL | P20701 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28408871 | 0.90 | POLB (0.43) | SLC22A12KMT2AKDM4EALDH1A1HSD17B10 | |
| SCHEMBL21331858 | 0.88 | KMT2A (0.40) | SLC22A12KMT2ATSHRPOLBHTR2A | |
| SCHEMBL28418713 | 0.87 | SLC22A12 (0.40) | SLC22A12KMT2AKDM4EPOLBCYP2C9 | |
| SCHEMBL21331849 | 0.87 | KMT2A (0.39) | SLC22A12KMT2ATSHRPOLBHTR2A | |
| SCHEMBL21331841 | 0.87 | CYP2C9 (0.52) | SLC22A12KMT2AKDM4EALDH1A1TSHR | |
| SCHEMBL28411914 | 0.87 | KMT2A (0.39) | SLC22A12KMT2AALDH1A1POLBCYP2C9 | |
| SCHEMBL21350305 | 0.84 | SLC22A12 (0.57) | SLC22A12 | |
| SCHEMBL28414576 | 0.84 | SLC22A12 (0.46) | SLC22A12KMT2APOLBCYP2C9HIF1A | |
| SCHEMBL21331807 | 0.81 | SLC22A12 (0.43) | SLC22A12KMT2AKDM4EALDH1A1HIF1A | |
| SCHEMBL21331804 | 0.80 | SLC22A12 (0.48) | SLC22A12KMT2AKDM4EALDH1A1HSD17B10 |
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-108440397-B | 3- (naphthalene-1-methyl substituted) pyridine derivative and synthesis method and application thereof | 南方医科大学 | 2020-06-05 | — | — | CN | disclosed |