Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.81 |
| ▸ | RAB9A | P51151 | 2/20 | 0.81 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.81 |
| ▸ | JUN | P05412 | 2/20 | 0.81 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.81 |
| ▸ | NPC1 | O15118 | 1/20 | 0.81 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.81 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | F3 | P13726 | 2/20 | 0.65 |
| ▸ | TYR | P14679 | 1/20 | 0.65 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.65 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5598852 | 0.90 | MAPT (1.00) | MAPTRAB9AKDM4EJUNNFKB1 | |
| SCHEMBL5598850 | 0.90 | MAPT (1.00) | MAPTRAB9AKDM4EJUNNFKB1 | |
| SCHEMBL16093039 | 0.88 | MAPT (0.89) | MAPTRAB9AKDM4EJUNNFKB1 | |
| Hydrochloric Acid SCHEMBL11971085 | 0.88 | MAPT (0.96) | MAPTRAB9AKDM4EJUNNFKB1 | |
| Hydrochloric Acid SCHEMBL11971079 | 0.88 | MAPT (0.96) | MAPTRAB9AKDM4EJUNNFKB1 | |
| SCHEMBL11067983 | 0.86 | CYP11B1 (0.70) | MAPTRAB9AKDM4EJUNNFKB1 | |
| SCHEMBL9605429 | 0.86 | CYP11B1 (0.70) | MAPTRAB9AKDM4EJUNNFKB1 | |
| SCHEMBL11067984 | 0.86 | CYP11B1 (0.70) | MAPTRAB9AKDM4EJUNNFKB1 | |
| SCHEMBL1604140 | 0.83 | RAB9A (1.00) | MAPTRAB9AKDM4EJUNNFKB1 | |
| SCHEMBL29600034 | 0.83 | RAB9A (1.00) | MAPTRAB9AKDM4EJUNNFKB1 |
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-108530435-B | Quinoxaline-containing 1, 4-pentadiene-3-ketone derivative, preparation method and application | 贵州大学 | 2021-08-17 | — | — | CN | disclosed |
| CN-106928176-B | Coumarin-containing 1, 4-pentadiene-3-ketone derivative and preparation method and application thereof | 贵州大学 | 2020-02-18 | — | — | CN | disclosed |