Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.37 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.37 |
| ▸ | VCP | P55072 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18000161 | 0.82 | HSD17B10 (0.38) | EGFRSRCKDM4ECASP1CASP7 | |
| SCHEMBL28229252 | 0.81 | IMPDH2 (0.39) | IMPDH2TSHRKDM4EHSD17B10VCP | |
| SCHEMBL1429109 | 0.77 | HPGD (0.54) | IMPDH2EGFRSRCKDM4EHSD17B10 | |
| SCHEMBL13548554 | 0.75 | ALKBH5 (0.52) | KDM4ECASP1CASP7HSD17B10CYP1A2 | |
| SCHEMBL18028323 | 0.72 | BCHE (0.43) | IMPDH2EGFRSRCKDM4EMAOA | |
| SCHEMBL18000262 | 0.72 | GPR3 (0.46) | KDM4ECASP1CASP7HSD17B10CYP1A2 | |
| SCHEMBL18000203 | 0.72 | GPR3 (0.41) | TSHRKDM4ECASP1CASP7HSD17B10 | |
| SCHEMBL30622575 | 0.72 | GPR3 (0.46) | KDM4ECASP1CASP7HSD17B10CYP1A2 | |
| SCHEMBL1355293 | 0.72 | DHFR (0.45) | TSHRKDM4ECASP1CASP7HSD17B10 | |
| SCHEMBL17680605 | 0.72 | GPR3 (0.41) | KDM4ECASP1CASP7HSD17B10CYP1A2 |
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-107820494-B | Nuclear receptor modulators | 艾伯维公司 | 2020-10-16 | — | — | CN | disclosed |