Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 10/20 | 0.59 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
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 | 0.86 | CNR2 (0.55) | CNR2ALDH1A1TAS2R14MCHR1CNR1 | |
| SCHEMBL28183374 | 0.86 | CNR2 (0.55) | CNR2ALDH1A1TAS2R14MCHR1CNR1 | |
| SCHEMBL28183371 | 0.82 | CNR2 (0.41) | CNR2BACE1MEN1KMT2ACA12 | |
| SCHEMBL19636452 | 0.80 | CNR2 (0.47) | CNR2MEN1ALDH1A1KMT2ACNR1 | |
| SCHEMBL28183370 | 0.80 | CNR2 (0.47) | CNR2MEN1ALDH1A1KMT2ACNR1 | |
| SCHEMBL19636457 | 0.79 | MCHR1 (0.44) | CNR2MEN1ALDH1A1KMT2AMCHR1 | |
| SCHEMBL19636456 | 0.79 | MCHR1 (0.44) | CNR2MEN1ALDH1A1KMT2AMCHR1 | |
| SCHEMBL28183369 | 0.78 | CDK4 (0.51) | ALDH1A1 | |
| SCHEMBL9702124 | 0.74 | CNR2 (0.65) | CNR2MEN1ALDH1A1KMT2ACA12 | |
| SCHEMBL7141098 | 0.74 | OPRM1 (0.53) | CNR2BACE1MEN1ALDH1A1KMT2A |
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 |