Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 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 | |
|---|---|---|---|---|
| SCHEMBL8735978 | 0.98 | KEAP1 (0.37) | KEAP1NFE2L2RECQLCHRM2CHRM1 | |
| SCHEMBL21269191 | 0.96 | KEAP1 (0.36) | KEAP1NFE2L2RECQLCHRM2CHRM1 | |
| SCHEMBL28315750 | 0.96 | KEAP1 (0.36) | KEAP1NFE2L2RECQLCHRM2CHRM1 | |
| SCHEMBL21269269 | 0.96 | KEAP1 (0.36) | KEAP1NFE2L2RECQLCHRM2CHRM1 | |
| SCHEMBL28875942 | 0.96 | KEAP1 (0.36) | KEAP1NFE2L2RECQLCHRM2CHRM1 | |
| SCHEMBL21269331 | 0.96 | KEAP1 (0.36) | KEAP1NFE2L2RECQLCHRM2CHRM1 | |
| SCHEMBL8734148 | 0.96 | KEAP1 (0.38) | KEAP1NFE2L2RECQLCHRM2CHRM1 | |
| SCHEMBL28314525 | 0.94 | KEAP1 (0.35) | KEAP1NFE2L2RECQLCHRM2CHRM1 | |
| SCHEMBL28314379 | 0.94 | KEAP1 (0.35) | KEAP1NFE2L2RECQLCHRM2CHRM1 | |
| SCHEMBL28314603 | 0.94 | KEAP1 (0.35) | KEAP1NFE2L2RECQLCHRM2CHRM1 |
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-110172019-A | The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic | 印度石油有限公司 | 2019-08-27 | — | — | CN | claimed |