Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.39 |
| ▸ | PER2 | O15055 | 1/20 | 0.38 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.38 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL19636592 | 0.79 | CNR2 (0.55) | ALDH1A1POLBTSHRMCHR1NR3C1 | |
| SCHEMBL2492170 | 0.71 | TSHR (0.53) | ALDH1A1POLBSMN1; SMN2CA2TSHR | |
| SCHEMBL10312253 | 0.71 | ALDH1A1 (0.64) | ALDH1A1POLBSMN1; SMN2CA2TSHR | |
| SCHEMBL2057187 | 0.70 | ALDH1A1 (0.54) | ALDH1A1POLBSMN1; SMN2CA2TSHR | |
| SCHEMBL27410092 | 0.69 | ALDH1A1 (0.49) | ALDH1A1POLBSMN1; SMN2CA2TSHR | |
| SCHEMBL20679705 | 0.68 | ALDH1A1 (0.45) | ALDH1A1POLBSMN1; SMN2CA2TSHR | |
| SCHEMBL24571678 | 0.67 | TSHR (0.68) | ALDH1A1POLBSMN1; SMN2CA2TSHR | |
| SCHEMBL12808838 | 0.67 | ALDH1A1 (0.60) | ALDH1A1POLBSMN1; SMN2TSHRMEN1 | |
| SCHEMBL13306986 | 0.67 | ALDH1A1 (0.50) | ALDH1A1POLBSMN1; SMN2CA2TSHR | |
| SCHEMBL2103432 | 0.67 | SMN1; SMN2 (0.58) | ALDH1A1POLBSMN1; SMN2CA2TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107400036-B | A method of synthesis 1,2- dimethylene cyclobutane chipal compounds | 中国科学院福建物质结构研究所 | 2019-09-20 | — | — | CN | disclosed |
| CN-107400036-A | A kind of method of synthesis 1,2- dimethylene cyclobutane chipal compounds | 中国科学院福建物质结构研究所 | 2017-11-28 | — | — | CN | disclosed |
| 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 |