Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | DRD4 | P21917 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | HTR2B | P41595 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | HTR5A | P47898 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7995257 | 0.82 | SMN1; SMN2 (0.51) | — | |
| SCHEMBL1180343 | 0.73 | ABL1 (0.69) | DYRK1ACLK4MAOBCYP1A1CYP1A2 | |
| SCHEMBL29489425 | 0.73 | CYP3A4 (0.73) | DYRK1ACLK4MAOBCYP1A1CYP1A2 | |
| SCHEMBL196765 | 0.73 | CYP3A4 (0.73) | DYRK1ACLK4MAOBCYP1A1CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL27960505 | 0.71 | CYP3A4 (0.70) | DYRK1ACLK4MAOBCYP1A1CYP1A2 | |
| Hydrogen Sulfide SCHEMBL28640169 | 0.71 | CYP3A4 (0.70) | DYRK1ACLK4MAOBCYP1A1CYP1A2 | |
| SCHEMBL29628977 | 0.71 | CYP3A4 (0.77) | DYRK1ACLK4MAOBCYP1A1CYP1A2 | |
| SCHEMBL5801556 | 0.70 | PDE4A (0.49) | MAOB | |
| SCHEMBL9414212 | 0.70 | ABL1 (0.66) | DYRK1ACLK4MAOBCYP1A1CYP1A2 | |
| SCHEMBL14748410 | 0.70 | ALDH1A1 (0.54) | — |
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-107105666-A | Novel microbicide | 先正达参股股份有限公司 | 2017-08-29 | — | — | CN | disclosed |