Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.55 |
| ▸ | NAMPT | P43490 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 2/20 | 0.50 |
| ▸ | GRM1 | Q13255 | 10/20 | 0.49 |
| ▸ | GRM5 | P41594 | 9/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | CDK7 | P50613 | 1/20 | 0.46 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.46 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | STS | P08842 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28671220 | 0.92 | GRM1 (0.51) | PDK4NAMPTCNR1GRM1GRM5 | |
| SCHEMBL31053182 | 0.92 | GRM1 (0.51) | PDK4NAMPTCNR1GRM1GRM5 | |
| SCHEMBL19703166 | 0.91 | PDK4 (0.49) | PDK4NAMPTCNR1GRM1GRM5 | |
| SCHEMBL652961 | 0.88 | NAMPT (0.60) | PDK4NAMPTCNR1GRM1GRM5 | |
| SCHEMBL13261659 | 0.88 | PDK4 (0.56) | PDK4NAMPTCNR1GRM1GRM5 | |
| SCHEMBL15534537 | 0.87 | NAMPT (0.52) | PDK4NAMPTCNR1GRM1GRM5 | |
| SCHEMBL19701849 | 0.87 | NAMPT (0.52) | PDK4NAMPTCNR1GRM1GRM5 | |
| SCHEMBL30191814 | 0.87 | CYP11B2 (0.59) | PDK4NAMPTCNR1GRM1GRM5 | |
| SCHEMBL4757771 | 0.86 | PDK4 (0.45) | PDK4NAMPTCNR1GRM1GRM5 | |
| SCHEMBL28672677 | 0.85 | GRM1 (0.56) | PDK4NAMPTGRM1GRM5CYP11B2 |
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-113735825-B | 1,2,3, 6-Tetrahydropyridine compound and preparation method and application thereof | 成都康弘药业集团股份有限公司 | 2024-08-27 | — | — | CN | disclosed |
| CN-113735825-A | 1,2,3, 6-tetrahydropyridine compound and preparation method and application thereof | 成都康弘药业集团股份有限公司 | 2021-12-03 | — | — | CN | disclosed |