Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11574456 | 1.00 | L3MBTL1 (0.44) | L3MBTL1ATMKDM4CPDE10AKDM4E | |
| SCHEMBL11571909 | 0.85 | ATM (0.47) | L3MBTL1ATMKDM4CPDE10AKDM4E | |
| SCHEMBL69173 | 0.79 | THRB (0.56) | L3MBTL1ATMKDM4CPDE10AKDM4E | |
| SCHEMBL27423048 | 0.77 | CYP1A2 (0.58) | L3MBTL1PDE10AKDM4ECYSLTR2CYSLTR1 | |
| SCHEMBL11389023 | 0.77 | ATM (0.53) | L3MBTL1ATMKDM4CPDE10ATDP1 | |
| SCHEMBL11262688 | 0.77 | ALDH1A1 (0.49) | KDM4ECYSLTR2CYSLTR1ALDH1A1MAPT | |
| SCHEMBL17323596 | 0.75 | KDM4E (0.49) | L3MBTL1ATMKDM4EALDH1A1MAPT | |
| SCHEMBL6114924 | 0.74 | ATM (0.57) | L3MBTL1ATMKDM4CPDE10AKDM4E | |
| SCHEMBL5656563 | 0.74 | GLA (0.49) | L3MBTL1ATMPDE10AKDM4EHTT | |
| SCHEMBL3412555 | 0.74 | L3MBTL1 (0.47) | L3MBTL1ATMKDM4CPDE10ATDP1 |
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-111018779-B | 2- (3-isoquinolyl) -ethyl propionate derivative and synthetic method thereof | 中国科学院大连化学物理研究所 | 2022-06-28 | — | — | CN | claimed |
| CN-111018779-B | 2- (3-isoquinolyl) -ethyl propionate derivative and synthetic method thereof | 中国科学院大连化学物理研究所 | 2022-06-28 | — | — | CN | disclosed |
| CN-111018779-B | 2- (3-isoquinolyl) -ethyl propionate derivative and synthetic method thereof | 中国科学院大连化学物理研究所 | 2022-06-28 | — | — | CN | disclosed |
| CN-111018779-B | 2- (3-isoquinolyl) -ethyl propionate derivative and synthetic method thereof | 中国科学院大连化学物理研究所 | 2022-06-28 | — | — | CN | disclosed |