Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28183370 | 0.85 | CNR2 (0.47) | ALDH1A1TSHRHTTATMCNR1 | |
| SCHEMBL19636452 | 0.85 | CNR2 (0.47) | ALDH1A1TSHRHTTATMCNR1 | |
| SCHEMBL19636459 | 0.77 | CNR2 (0.50) | ALDH1A1TSHRHTTCNR1CNR2 | |
| SCHEMBL19636580 | 0.76 | CNR2 (0.38) | ALDH1A1HTTCNR1CNR2LMNA | |
| SCHEMBL19636449 | 0.75 | TDP1 (0.53) | ALDH1A1CNR1CNR2LMNASMN1; SMN2 | |
| SCHEMBL19636538 | 0.74 | CDK4 (0.47) | ALDH1A1LMNASMN1; SMN2MAPK1 | |
| SCHEMBL19636448 | 0.72 | KMT2A (0.58) | ALDH1A1HTTLMNASMN1; SMN2 | |
| SCHEMBL19636576 | 0.72 | CNR1 (0.50) | ALDH1A1TSHRCNR1CNR2LMNA | |
| SCHEMBL19636716 | 0.72 | CYP1A2 (0.41) | ALDH1A1HTTCNR2LMNATDP1 | |
| SCHEMBL7365613 | 0.71 | CNR2 (0.52) | CNR1CNR2 |
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 |