Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | AGER | Q15109 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28184190 | 0.85 | TRPM8 (0.43) | CYP1A2CYP2D6CYP2C19TRPM8LMNA | |
| SCHEMBL19636459 | 0.82 | CNR2 (0.50) | LMNAALDH1A1NPSR1HTTCNR2 | |
| SCHEMBL19636538 | 0.74 | CDK4 (0.47) | LMNAALDH1A1MAPT | |
| SCHEMBL19636580 | 0.73 | CNR2 (0.38) | LMNAC5AR1ALDH1A1KEAP1NFE2L2 | |
| SCHEMBL19636713 | 0.73 | TRPM8 (0.34) | CYP1A2CYP2D6CYP2C19TRPM8LMNA | |
| SCHEMBL19636448 | 0.72 | KMT2A (0.58) | LMNAALDH1A1HSD17B10HTTMAPT | |
| SCHEMBL19636450 | 0.72 | ALDH1A1 (0.46) | LMNAALDH1A1NPSR1HTTL3MBTL1 | |
| SCHEMBL18085041 | 0.71 | CNR2 (0.53) | CYP1A2CYP2D6CYP2C19TRPM8LMNA | |
| SCHEMBL19636597 | 0.69 | PSEN1 (0.42) | LMNAC5AR1ALDH1A1AGERMAPT | |
| SCHEMBL5966612 | 0.66 | NQO2 (0.47) | LMNAALDH1A1GAAKDM4EKEAP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017197670-A1 | METHOD FOR SYNTHESIZING 1,2-DIMETHYLENE CYCLOBUTANE CHIRAL COMPOUND | 中国科学院福建物质结构研究所 | 2017-11-23 | — | — | WO | disclosed |