Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 4/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28911912 | 0.81 | ADRA2A (0.53) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL8828290 | 0.79 | HRH1 (0.40) | CYP2D6CYP1A2CYP2C9CYP2C19HRH1 | |
| Hydrochloric Acid SCHEMBL28965963 | 0.79 | ADRA2A (0.55) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL22263575 | 0.76 | CYP3A4 (0.39) | CYP2D6L3MBTL1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8753243 | 0.76 | HSPA5 (0.52) | TAAR1CYP2D6ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL28544303 | 0.76 | HTT (0.44) | ADRA2AADRA2BADRA2CTAAR1CYP2D6 | |
| SCHEMBL10688280 | 0.75 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL599659 | 0.73 | CYP2C19 (0.62) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL29490353 | 0.73 | CYP2C19 (0.62) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| Cyanide SCHEMBL21331823 | 0.73 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CADRA1AADRA1D |
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-108530365-A | 1,4- naphthoquinones/anthraquinone imdazole derivatives and its preparation and use | 上海交通大学 | 2018-09-14 | — | — | CN | disclosed |