Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157664 | 0.78 | CYP1A2 (0.42) | PKMCYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL28056219 | 0.73 | PIN1 (0.46) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL13348675 | 0.72 | CCNA2 (0.36) | PKMCYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL13764995 | 0.69 | TLR7 (0.40) | PKMNPC1RAB9AKDM4ETLR8 | |
| SCHEMBL28056510 | 0.69 | RRM2 (0.37) | — | |
| SCHEMBL28056255 | 0.68 | GRM4 (0.37) | ALDH1A1 | |
| SCHEMBL598441 | 0.67 | CYP2D6 (0.43) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL808604 | 0.66 | CDK1 (0.47) | PKMCYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL23179859 | 0.66 | GAA (0.44) | NPC1RAB9AKDM4EGAATDP1 | |
| SCHEMBL27998678 | 0.66 | AURKA (0.39) | PKMNPC1RAB9AKDM4ETLR8 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106432102-A | Synthetic method of anticancercompound FD-2 drug intermediate 2-N-butoxypolyethylene-5-amino pyrimidine-4-ketone | 厦门市凯尔利信息科技有限公司 | 2017-02-22 | — | — | CN | claimed |
| CN-105541730-A | Synthesis method for 2-n-butoxyl-5-aminopyrimidine-4-one as anticancer compound FD-2 drug intermediate | CHENGDU QIESITE TECH CO LTD | 2016-05-04 | — | — | CN | claimed |
| CN-106432102-A | Synthetic method of anticancercompound FD-2 drug intermediate 2-N-butoxypolyethylene-5-amino pyrimidine-4-ketone | 厦门市凯尔利信息科技有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-105541730-A | Synthesis method for 2-n-butoxyl-5-aminopyrimidine-4-one as anticancer compound FD-2 drug intermediate | CHENGDU QIESITE TECH CO LTD | 2016-05-04 | — | — | CN | disclosed |