Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.51 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL9618867 | 0.99 | KEAP1 (0.50) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL8523581 | 0.88 | KEAP1 (0.54) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL9809541 | 0.87 | KEAP1 (0.52) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| Water SCHEMBL9618918 | 0.87 | KEAP1 (0.52) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL8334334 | 0.86 | KEAP1 (0.51) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| Water SCHEMBL9618839 | 0.86 | KEAP1 (0.51) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL7919594 | 0.85 | KEAP1 (0.56) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL9809552 | 0.84 | KEAP1 (0.55) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL9618756 | 0.84 | KEAP1 (0.55) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL8523777 | 0.84 | KEAP1 (0.49) | KEAP1NFE2L2POLBCHRM3CHRM2 |
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 |