Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | MIF | P14174 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18245376 | 0.81 | MIF (0.36) | CYP2D6MIFTAAR1ADRA2AADRA2C | |
| SCHEMBL9303811 | 0.79 | MIF (0.44) | CYP2D6MIFTAAR1ADRA2AADRA2C | |
| SCHEMBL29180072 | 0.77 | ADRA2A (0.41) | TAAR1ADRA2AADRA2CLMNAHIF1A | |
| SCHEMBL6024979 | 0.76 | TAAR1 (0.40) | CYP2D6MIFTAAR1SRCADRA2A | |
| SCHEMBL26210808 | 0.73 | MIF (0.40) | CYP2D6MIFTAAR1ADRA2AADRA2C | |
| SCHEMBL6014617 | 0.73 | TAAR1 (0.44) | MIFTAAR1ADRA2AADRA2CLMNA | |
| SCHEMBL1453760 | 0.71 | MIF (0.39) | CYP2D6MIFTAAR1ADRA2AADRA2C | |
| SCHEMBL168226 | 0.71 | ADRA2C (0.41) | CYP2D6MIFKMT2ATAAR1SRC | |
| SCHEMBL3151083 | 0.70 | MIF (0.41) | CYP2D6MIFTAAR1SRCADRA2A | |
| SCHEMBL97552 | 0.70 | MIF (0.41) | CYP2D6MIFTAAR1SRCADRA2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112250557-A | Method for efficiently synthesizing 1, 6-diene-3-ketone derivative | 徐州工程学院 | 2021-01-22 | — | — | CN | disclosed |