Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | GAK | O14976 | 1/20 | 0.52 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL29588619 | 1.00 | CYP1A2 (0.56) | CYP1A2GAKCCNE2CCNA2CCNE1 | |
| SCHEMBL29324280 | 0.84 | CYP1A2 (0.58) | CYP1A2GAKPOLBBACE1KDM4E | |
| SCHEMBL9494192 | 0.83 | GAK (0.50) | CYP1A2GAKCCNE2CCNA2CCNE1 | |
| SCHEMBL5101813 | 0.83 | LMNA (0.62) | CYP1A2GAKCCNE2CCNA2CCNE1 | |
| SCHEMBL437638 | 0.83 | MCHR1 (0.59) | GAKMCHR1BACE1 | |
| SCHEMBL21173342 | 0.80 | GAK (0.48) | CYP1A2GAKCCNE2CCNA2CCNE1 | |
| SCHEMBL6490334 | 0.76 | CYP1A2 (0.57) | CYP1A2POLBKDM4E | |
| SCHEMBL29588228 | 0.76 | CYP1A2 (0.57) | CYP1A2POLBKDM4E | |
| SCHEMBL422643 | 0.75 | SMN1; SMN2 (0.59) | GAKCCNE2CCNA2CCNE1CDK2 | |
| SCHEMBL3531515 | 0.75 | LMNA (0.66) | CYP1A2POLBKDM4EMITFL3MBTL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115108980-B | Preparation method of No. 4 acylated derivative of 2-methylquinoline compound | 济南大学 | 2023-06-16 | — | — | CN | disclosed |
| CN-114380741-B | Preparation method of 4-position alkylated derivative of 2-methylquinoline compound | 济南大学 | 2023-03-24 | — | — | CN | disclosed |
| CN-115108980-A | Preparation method of 4-bit acylated derivative of 2-methylquinoline compound | 济南大学 | 2022-09-27 | — | — | CN | disclosed |
| CN-114380741-A | Preparation method of 4-position alkylated derivative of 2-methylquinoline compound | 济南大学 | 2022-04-22 | — | — | CN | disclosed |
| WO-2018053126-A1 | INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF | VANDERBILT UNIVERSITY (US) | 2018-03-22 | — | — | WO | disclosed |