Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 5/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | VDR | P11473 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28860732 | 0.84 | CNR2 (0.43) | MAPK1CNR2CNR1KLF10CYP4F2 | |
| SCHEMBL16138977 | 0.80 | CYP4F2 (0.39) | ESR1ESR2CNR2CNR1KLF10 | |
| SCHEMBL1767919 | 0.76 | CYP1A2 (0.47) | ESR1CNR2PPARAABCB11CYP1A2 | |
| Hydrochloric Acid SCHEMBL12274224 | 0.74 | CYP1A2 (0.46) | ESR1CNR2PPARAABCB11CYP1A2 | |
| SCHEMBL28084453 | 0.72 | PIN1 (0.49) | CYP4F2CYP4A11PPARAABCB11CYP1A2 | |
| SCHEMBL4624085 | 0.71 | KLF10 (0.47) | KLF10CYP1A2 | |
| SCHEMBL28191159 | 0.69 | ESR1 (0.47) | ESR1ESR2CNR2CNR1 | |
| SCHEMBL12448008 | 0.69 | ALDH1A1 (0.51) | — | |
| SCHEMBL16138749 | 0.68 | CYP4F2 (0.39) | ESR1ESR2CNR2CNR1KLF10 | |
| SCHEMBL1768098 | 0.68 | ALDH1A1 (0.41) | — |
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-108112251-A | NRF2 conditioning agents | 葛兰素史克知识产权发展有限公司 | 2018-06-01 | — | — | CN | disclosed |