Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10014098 | 0.95 | HTR2A (0.49) | CYP19A1HTR2AKCNH2SIGMAR1SLC6A2 | |
| SCHEMBL27464580 | 0.89 | HTR2A (0.55) | CYP19A1HTR2AKCNH2SIGMAR1SLC6A2 | |
| SCHEMBL6283206 | 0.89 | CYP19A1 (0.47) | CYP19A1HTR2AKCNH2SIGMAR1SLC6A2 | |
| SCHEMBL6682502 | 0.88 | POLB (0.47) | HTR2ASIGMAR1OPRM1CNR2 | |
| SCHEMBL1538332 | 0.86 | CYP19A1 (0.54) | CYP19A1HTR2AKCNH2SIGMAR1SLC6A2 | |
| SCHEMBL27464581 | 0.86 | HTR2A (0.59) | CYP19A1HTR2AKCNH2SIGMAR1SLC6A2 | |
| SCHEMBL28775673 | 0.85 | SIGMAR1 (0.47) | CYP19A1HTR2AKCNH2SIGMAR1SLC6A2 | |
| SCHEMBL6682155 | 0.84 | SIGMAR1 (0.46) | HTR2ASIGMAR1OPRM1CNR2 | |
| SCHEMBL2052039 | 0.84 | POLB (0.45) | HTR2ASIGMAR1OPRM1CNR2 | |
| SCHEMBL3119171 | 0.83 | CYP19A1 (0.53) | CYP19A1HTR2AKCNH2SIGMAR1SLC6A2 |
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-105503553-A | Preparation method of alpha-beta-unsaturated carbonyl compound | UNIV SHAANXI NORMAL | 2016-04-20 | — | — | CN | disclosed |