Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.69 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.69 |
| ▸ | CHRM3 | P20309 | 11/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4889937 | 0.96 | KEAP1 (0.74) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL3051018 | 0.95 | KEAP1 (0.72) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL9809511 | 0.95 | KEAP1 (0.72) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL23581780 | 0.93 | KEAP1 (0.70) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL29996978 | 0.90 | KEAP1 (0.81) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL6590164 | 0.85 | KEAP1 (0.93) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL2763565 | 0.85 | KEAP1 (0.93) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL3913217 | 0.85 | KEAP1 (0.93) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL27515279 | 0.82 | KEAP1 (0.69) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL2062949 | 0.81 | KEAP1 (1.00) | KEAP1NFE2L2CHRM3CHRM2CHRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0486734-A1 | 1-Aryl-1-hydroxy-1-substituted-3-(4-substituted-1-piperazinyl)-2-propanones and their use in treatment of neurogenic bladder disorders | MARION MERRELL DOW INC. (US) | 1992-05-27 | — | — | EP | disclosed |
| US-5001160-A | 1-aryl-1-hydroxy-1-substituted-3-(4-substituted-1-piperazinyl)-2-propanones and their use in treatment of neurogenic bladder disorders | MARION LABORATORIES, INC. (US) | 1991-03-19 | — | — | US | disclosed |