Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.69 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.50 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL3536658 | 0.92 | ESR2 (0.64) | ESR2SRD5A1HTR3APDE4APDE4B | |
| Ethylene SCHEMBL13737971 | 0.89 | ESR2 (0.60) | ESR2SRD5A1HTR3APDE4APDE4B | |
| SCHEMBL718300 | 0.85 | ESR2 (0.50) | ESR2SRD5A1HTR3APDE4APDE4B | |
| Tetrahydrofuran SCHEMBL28842388 | 0.84 | ESR2 (0.51) | ESR2SRD5A1HTR3APDE4APDE4B | |
| SCHEMBL14403055 | 0.82 | ESR2 (0.78) | ESR2SRD5A1PDE4APDE4BPDE4C | |
| SCHEMBL18258347 | 0.81 | ESR2 (1.00) | ESR2CYP2C9 | |
| SCHEMBL8038498 | 0.81 | ESR2 (0.52) | ESR2SRD5A1HTR3ASLC2A1SLC18A3 | |
| SCHEMBL8038502 | 0.81 | ESR2 (0.52) | ESR2SRD5A1HTR3ASLC2A1SLC18A3 | |
| SCHEMBL28158911 | 0.81 | ESR2 (1.00) | ESR2CYP2C9 | |
| SCHEMBL444141 | 0.81 | SRD5A1 (0.53) | ESR2SRD5A1HTR3APDE4APDE4B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106496005-B | Synthesis method of 4- (4-chlorphenyl) cyclohexanone | 上海毕得医药科技有限公司 | 2019-04-09 | — | — | CN | disclosed |
| CN-106496008-A | Method for synthesizing 4- (4-chlorphenyl) cyclohexanone | 上海毕得医药科技有限公司 | 2017-03-15 | — | — | CN | disclosed |