Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8334334 | 0.88 | KEAP1 (0.51) | KEAP1NFE2L2CHRM2CHRM1CYP2C19 | |
| SCHEMBL9809583 | 0.85 | KEAP1 (0.49) | KEAP1NFE2L2CHRM2CHRM1CYP2C19 | |
| SCHEMBL9809576 | 0.84 | CHRM1 (0.43) | KEAP1NFE2L2CHRM2CHRM1CYP2C19 | |
| SCHEMBL9861159 | 0.82 | KEAP1 (0.44) | KEAP1NFE2L2CHRM2CHRM1CYP2C19 | |
| SCHEMBL8523777 | 0.77 | KEAP1 (0.49) | KEAP1NFE2L2CHRM2CHRM1CYP2C19 | |
| SCHEMBL8523581 | 0.76 | KEAP1 (0.54) | KEAP1NFE2L2CHRM2CHRM1CYP2C19 | |
| SCHEMBL8332843 | 0.76 | KEAP1 (0.47) | KEAP1NFE2L2CHRM2CHRM1CYP2C19 | |
| Water SCHEMBL9618918 | 0.75 | KEAP1 (0.52) | KEAP1NFE2L2CHRM2CHRM1CYP2C19 | |
| SCHEMBL9809541 | 0.75 | KEAP1 (0.52) | KEAP1NFE2L2CHRM2CHRM1CYP2C19 | |
| SCHEMBL9809490 | 0.74 | KEAP1 (0.51) | KEAP1NFE2L2CHRM2CHRM1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5036107-A | Treatment of neurogenic bladder disorders | MARION MERRELL DOW INC. (US) | 1991-07-30 | — | — | US | disclosed |
| EP-0414180-A2 | Hydroxylated ene ketones, acetylenic grignards and hydroxylated yne ketones therefrom | MARION MERRELL DOW INC. (US) | 1991-02-27 | — | — | EP | disclosed |
| US-4973756-A | Hydroxylated ene ketones, acetylenic grignards and hydroxylated yne ketones therefrom | MARION LABORATORIES, INC. (US) | 1990-11-27 | — | — | US | disclosed |