Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 3/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | STK10 | O94804 | 2/20 | 0.34 |
| ▸ | SLK | Q9H2G2 | 2/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20338620 | 0.80 | CYP2A6 (0.52) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL17641740 | 0.79 | NCOA1 (0.50) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL28305471 | 0.78 | CYP2A6 (0.50) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Fluoride SCHEMBL27959728 | 0.77 | CYP2A6 (0.48) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL30340102 | 0.75 | FYN (0.56) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL28415598 | 0.75 | CYP2E1 (0.33) | CYP2A6CYP2B6CYP2E1TDO2 | |
| SCHEMBL4454628 | 0.75 | FYN (0.56) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL4946960 | 0.73 | CYP2A6 (0.64) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL31037154 | 0.73 | CA1 (0.38) | ADRA2B | |
| SCHEMBL9820616 | 0.73 | CA1 (0.38) | ADRA2B |
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-111217946-B | Composition comprising a compound containing a vinyl group | 东京应化工业株式会社 | 2022-12-06 | — | — | CN | disclosed |