Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12524019 | 0.87 | KEAP1 (0.35) | KEAP1NFE2L2CRHBPCRHR2ALDH1A1 | |
| SCHEMBL8097259 | 0.86 | CYP1A2 (0.49) | ALDH1A1MAPK1CYP1A2MAPTKDM4E | |
| SCHEMBL3511045 | 0.84 | METAP2 (0.43) | KEAP1NFE2L2CRHBPCRHR2ALDH1A1 | |
| SCHEMBL4076119 | 0.82 | ENPP1 (0.42) | KEAP1NFE2L2CRHBPCRHR2ALDH1A1 | |
| SCHEMBL5077287 | 0.81 | ALDH1A1 (0.42) | KEAP1NFE2L2CRHBPCRHR2ALDH1A1 | |
| SCHEMBL13085294 | 0.79 | MAPK1 (0.45) | KEAP1NFE2L2CRHBPCRHR2ALDH1A1 | |
| SCHEMBL12032206 | 0.79 | ENPP1 (0.42) | KEAP1NFE2L2CRHBPCRHR2ALDH1A1 | |
| SCHEMBL8010383 | 0.79 | PDCD1 (0.39) | KEAP1NFE2L2CRHBPCRHR2HPGD | |
| SCHEMBL12449293 | 0.79 | CYP1A2 (0.45) | KEAP1NFE2L2CRHBPCRHR2ALDH1A1 | |
| SCHEMBL15154253 | 0.79 | ESR1 (0.48) | ALDH1A1HPGDHSD17B10L3MBTL1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000159697-A | HYDROCARBON COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT | MITSUI CHEMICALS INC | 2000-06-13 | — | — | JP | disclosed |