Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.64 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.64 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.64 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.64 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.64 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.47 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.42 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 5/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.37 |
| ▸ | CDC25A | P30304 | 3/20 | 0.37 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 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 | |
|---|---|---|---|---|
| SCHEMBL29751910 | 1.00 | CHRNB2 (0.64) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| Epipolygodial SCHEMBL29370854 | 0.78 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| Epipolygodial SCHEMBL13855685 | 0.78 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| Epipolygodial SCHEMBL21322435 | 0.78 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| Polygodial SCHEMBL21633831 | 0.78 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| Polygodial SCHEMBL258239 | 0.78 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| SCHEMBL4115189 | 0.75 | CHRNB2 (0.60) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| SCHEMBL18583213 | 0.71 | CHRNB2 (0.70) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| SCHEMBL6441029 | 0.70 | TRPA1 (0.69) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| Polygodial SCHEMBL9776484 | 0.70 | CHRNB2 (0.81) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 |
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-109045021-A | A kind of rhizoma nardostachyos guaiaci lignum ketone is used as the purposes of acid sphingomyelinase inhibitor | 赵熙 | 2018-12-21 | — | — | CN | disclosed |
| CN-108926555-A | A kind of farfaratin derivative is used as the purposes of acid sphingomyelinase inhibitor | 赵熙 | 2018-12-04 | — | — | CN | disclosed |