Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | PDE4A | P27815 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 3/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.34 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.34 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.33 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.32 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15216874 | 0.83 | TLR9 (0.40) | KDM4EALDH1A1TLR9TLR8TLR7 | |
| SCHEMBL18677138 | 0.79 | PDGFRB (0.40) | KDM4EALDH1A1TLR9TLR8TLR7 | |
| SCHEMBL21177101 | 0.78 | ESR2 (0.44) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19537423 | 0.77 | BACE1 (0.41) | KDM4EALDH1A1TLR9TLR8TLR7 | |
| SCHEMBL15823235 | 0.75 | ESR2 (0.48) | ESR2PDE4APDE4BPDE4CPDE4D | |
| Hydrochloric Acid SCHEMBL28415151 | 0.72 | SPHK1 (0.37) | TLR9TLR8TLR7SUV39H2HRH3 | |
| SCHEMBL14337203 | 0.71 | ESR2 (0.48) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7199316 | 0.71 | ESR2 (0.48) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3533675 | 0.71 | ESR2 (0.64) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL14403055 | 0.71 | ESR2 (0.78) | ESR2PDE4APDE4BPDE4CPDE4D |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111630043-B | Compound containing ring, preparation method and application thereof in medicine | 四川科伦博泰生物医药股份有限公司 | 2022-02-15 | — | — | CN | disclosed |
| CN-111630043-A | Compound containing ring, preparation method and application thereof in medicine | 四川科伦博泰生物医药股份有限公司 | 2020-09-04 | — | — | CN | disclosed |
| WO-2019179369-A1 | RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-09-26 | — | — | WO | disclosed |