Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | FPR1 | P21462 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28480393 | 1.00 | CHRNA7 (0.43) | CHRNA7GABBR2GABRB1GABRB2GABBR1 | |
| SCHEMBL3841001 | 0.84 | GRIN2D (0.39) | CHRNA7GABBR2GABRB1GABRB2GABBR1 | |
| SCHEMBL3840995 | 0.84 | GRIN2D (0.39) | CHRNA7GABBR2GABRB1GABRB2GABBR1 | |
| SCHEMBL3849792 | 0.84 | GABBR2 (0.36) | CHRNA7GABBR2GABRB1GABRB2GABBR1 | |
| SCHEMBL3849794 | 0.84 | GABBR2 (0.36) | CHRNA7GABBR2GABRB1GABRB2GABBR1 | |
| SCHEMBL31521009 | 0.81 | MEN1 (0.42) | KDM1AMAOBALDH1A1NFE2L2CYP19A1 | |
| SCHEMBL3841598 | 0.80 | GRIN2D (0.36) | CHRNA7GABBR2GABRB1GABRB2GABBR1 | |
| SCHEMBL354181 | 0.79 | GRIN2D (0.39) | CHRNA7GABBR2GABRB1GABRB2GABBR1 | |
| SCHEMBL3841872 | 0.79 | GRIN2D (0.36) | CHRNA7GABBR2GABRB1GABRB2GABBR1 | |
| SCHEMBL3841870 | 0.79 | GRIN2D (0.36) | CHRNA7GABBR2GABRB1GABRB2GABBR1 |
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-109293468-B | Method for synthesizing cis-olefin through decarboxylation coupling reaction of NHP ester and terminal aryl alkyne under catalysis of iridium | 中南大学 | 2020-05-26 | — | — | CN | disclosed |
| CN-109293468-A | A method of it being catalyzed the decarboxylation coupling reaction synthesizing cis alkene of NHP ester and terminal aryl group alkynes by iridium | 中南大学 | 2019-02-01 | — | — | CN | disclosed |