Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NT5E | P21589 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
| ▸ | GSK3A | P49840 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 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 | |
|---|---|---|---|---|
| SCHEMBL30106726 | 0.86 | NT5E (0.45) | NR4A2NT5EKDM4EALDH1A1HSD17B10 | |
| SCHEMBL25962423 | 0.86 | NT5E (0.45) | NR4A2NT5EKDM4EALDH1A1HSD17B10 | |
| SCHEMBL30586445 | 0.78 | NT5E (0.41) | NT5EKDM4EALDH1A1HSD17B10ACVR1 | |
| SCHEMBL3344697 | 0.77 | NT5E (0.56) | NR4A2NT5EKDM4EALDH1A1HSD17B10 | |
| SCHEMBL18463880 | 0.77 | NR4A2 (0.43) | NR4A2KDM4EALDH1A1HSD17B10HTR3E | |
| SCHEMBL30503643 | 0.76 | LMNA (0.54) | KDM4EALDH1A1HSD17B10HTR3AHRH3 | |
| SCHEMBL20480626 | 0.76 | ALDH1A1 (0.46) | NT5EKDM4EALDH1A1PDGFRBCYP1A2 | |
| SCHEMBL27928093 | 0.76 | CYP1A2 (0.55) | ALDH1A1CYP2A6CYP1A2MAPT | |
| SCHEMBL29612766 | 0.76 | ALDH1A1 (0.46) | NT5EKDM4EALDH1A1PDGFRBCYP1A2 | |
| SCHEMBL29456173 | 0.76 | NT5E (0.54) | NT5EKDM4EALDH1A1PTGS1PTGS2 |
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 |