Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL28904693 | 0.89 | CNR2 (0.40) | KCNH2HTR2ASMN1; SMN2 | |
| SCHEMBL28498546 | 0.89 | TDP1 (0.40) | — | |
| SCHEMBL28498306 | 0.85 | TAAR1 (0.42) | IDO1SMN1; SMN2 | |
| SCHEMBL28514867 | 0.85 | FDFT1 (0.44) | SIGMAR1MAOBHDAC1HDAC8 | |
| SCHEMBL28508147 | 0.84 | KDM4E (0.35) | — | |
| SCHEMBL28514841 | 0.78 | TAAR1 (0.41) | — | |
| SCHEMBL28599439 | 0.78 | TSHR (0.42) | SMN1; SMN2 | |
| SCHEMBL28604372 | 0.78 | ALDH1A1 (0.37) | TRPA1 | |
| SCHEMBL28504150 | 0.78 | CSNK1E (0.38) | SIGMAR1HTR2A | |
| SCHEMBL28507149 | 0.76 | CSNK1E (0.41) | HTR2AMAPK1SMN1; SMN2 |
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-109111333-B | Chiral gem-disilyl alkane compound and synthesis method and application thereof | 浙江大学 | 2021-01-08 | — | — | CN | disclosed |
| CN-109111333-A | It is a kind of chiral together with two silicon substrate alkane compounds and its synthetic method and application | 浙江大学 | 2019-01-01 | — | — | CN | disclosed |