Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 5/20 | 0.42 |
| ▸ | BCHE | P06276 | 4/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2535170 | 1.00 | LMNA (0.46) | LMNAALDH1A1ACHEBCHEGRIN1 | |
| SCHEMBL30415489 | 0.83 | POLB (0.50) | ALDH1A1ACHEBCHENR4A2ESR1 | |
| SCHEMBL5638415 | 0.83 | POLB (0.50) | ALDH1A1ACHEBCHENR4A2ESR1 | |
| SCHEMBL23202873 | 0.82 | AHR (0.44) | ALDH1A1KDM4EHPGDNPC1MAPK1 | |
| SCHEMBL30827892 | 0.82 | AHR (0.44) | ALDH1A1KDM4EHPGDNPC1MAPK1 | |
| SCHEMBL5433753 | 0.79 | NT5E (0.46) | LMNAACHEBCHEGRIN1GRIN2A | |
| SCHEMBL12598496 | 0.79 | MAPT (0.46) | LMNAALDH1A1ACHEHIF1AKDM4E | |
| SCHEMBL7692119 | 0.79 | ESR1 (0.64) | LMNAALDH1A1ACHEHIF1AKDM4E | |
| SCHEMBL20680332 | 0.79 | LMNA (0.43) | LMNAHIF1AKDM4ECYP3A4CYP2C19 | |
| SCHEMBL31218411 | 0.79 | NT5E (0.64) | LMNAACHEBCHEGRIN1GRIN2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112204010-B | Heterocyclic derivatives and uses thereof | C&C新药研究所 | 2024-03-19 | — | — | CN | disclosed |
| CN-113121435-B | Synthetic method of 2, 4-dichloroquinoline compound | 辽宁大学 | 2022-08-30 | — | — | CN | disclosed |