Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5833184 | 0.86 | BACE1 (0.55) | NT5EKDM4EBACE1KMT2AACVR1 | |
| SCHEMBL28170667 | 0.79 | NT5E (0.36) | NT5EKDM4EBACE1KMT2AMEN1 | |
| SCHEMBL30586448 | 0.79 | NT5E (0.36) | NT5EKDM4EBACE1KMT2AMEN1 | |
| SCHEMBL18463779 | 0.79 | AR (0.35) | KDM4EBACE1KMT2ACYP1A2CYP2A6 | |
| SCHEMBL30586444 | 0.78 | NR4A2 (0.46) | NT5EKDM4EHSD17B10ACVR1CLK4 | |
| SCHEMBL29456173 | 0.78 | NT5E (0.54) | NT5EKDM4EBACE1KMT2AMEN1 | |
| SCHEMBL20480626 | 0.78 | ALDH1A1 (0.46) | NT5EKDM4EKMT2AMEN1HTT | |
| SCHEMBL30503643 | 0.78 | LMNA (0.54) | KDM4EBACE1KMT2AMEN1HTT | |
| SCHEMBL29612766 | 0.78 | ALDH1A1 (0.46) | NT5EKDM4EKMT2AMEN1HTT | |
| SCHEMBL27928093 | 0.78 | CYP1A2 (0.55) | KMT2AATMCYP1A2CYP2A6ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115466212-B | 2-trifluoromethyl quinoline compound and synthetic method and application thereof | 河南农业大学 | 2023-09-22 | — | — | CN | disclosed |