Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.53 |
| ▸ | HTR2B | P41595 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | THPO | P40225 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7268543 | 0.99 | KEAP1 (0.56) | KEAP1NFE2L2CHRM2CHRM1KCNH2 | |
| SCHEMBL9618325 | 0.84 | POLB (0.54) | KEAP1NFE2L2CHRM2CHRM1KCNH2 | |
| SCHEMBL7915539 | 0.83 | POLB (0.53) | KEAP1NFE2L2CHRM2CHRM1KCNH2 | |
| SCHEMBL7274104 | 0.83 | CHRM2 (0.54) | KEAP1NFE2L2CHRM2CHRM1KCNH2 | |
| SCHEMBL7278370 | 0.81 | CHRM3 (0.56) | CHRM2CHRM1KCNH2SLC6A3ALDH1A1 | |
| SCHEMBL4741114 | 0.81 | KEAP1 (0.68) | KEAP1NFE2L2CHRM2CHRM1KCNH2 | |
| SCHEMBL1610849 | 0.81 | KEAP1 (0.68) | KEAP1NFE2L2CHRM2CHRM1KCNH2 | |
| SCHEMBL27483674 | 0.81 | KEAP1 (0.68) | KEAP1NFE2L2CHRM2CHRM1KCNH2 | |
| SCHEMBL6253092 | 0.80 | CHRM2 (0.52) | KEAP1NFE2L2CHRM2CHRM1KCNH2 | |
| Hydrochloric Acid SCHEMBL9878913 | 0.80 | POLB (0.61) | KEAP1NFE2L2CHRM2CHRM1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5036098-A | Urogenital disorders | NIPPON SHINYAKU CO., LTD. (JP) | 1991-07-30 | — | — | US | disclosed |
| EP-0359311-A2 | Butynylamine derivatives | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1990-03-21 | — | — | EP | disclosed |