Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 11/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4883114 | 0.98 | KEAP1 (0.50) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL9809488 | 0.82 | KEAP1 (0.46) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL9809468 | 0.82 | KEAP1 (0.46) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL27769445 | 0.81 | KEAP1 (0.49) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL28195129 | 0.80 | KEAP1 (0.47) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL2763726 | 0.78 | KEAP1 (0.56) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL13865471 | 0.77 | KEAP1 (0.54) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL17739911 | 0.77 | KEAP1 (0.54) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL3913639 | 0.76 | KEAP1 (0.57) | KEAP1NFE2L2POLBCHRM3CHRM2 | |
| SCHEMBL9809511 | 0.76 | KEAP1 (0.72) | 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 |
|---|---|---|---|---|---|---|---|
| EP-0251126-B1 | 1,7-SUBSTITUTED HEPTYNE-2-ONES | MARION MERRELL DOW INC. (US) | 1992-01-08 | — | — | EP | disclosed |
| US-5036107-A | Treatment of neurogenic bladder disorders | MARION MERRELL DOW INC. (US) | 1991-07-30 | — | — | US | disclosed |
| EP-0251126-A2 | 1,7-substituted heptyne-2-ones | MARION MERRELL DOW INC. (US) | 1988-01-07 | — | — | EP | disclosed |