Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.68 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.68 |
| ▸ | POLB | P06746 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.61 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.61 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.61 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.60 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.60 |
| ▸ | HTR2B | P41595 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | HRH1 | P35367 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL27483674 | 1.00 | KEAP1 (0.68) | KEAP1NFE2L2POLBALDH1A1CHRM3 | |
| SCHEMBL1610849 | 1.00 | KEAP1 (0.68) | KEAP1NFE2L2POLBALDH1A1CHRM3 | |
| SCHEMBL1234889 | 0.98 | KEAP1 (0.70) | KEAP1NFE2L2POLBALDH1A1CHRM3 | |
| SCHEMBL522945 | 0.98 | KEAP1 (0.70) | KEAP1NFE2L2POLBALDH1A1CHRM3 | |
| SCHEMBL2062807 | 0.98 | KEAP1 (0.70) | KEAP1NFE2L2POLBALDH1A1CHRM3 | |
| SCHEMBL10842570 | 0.93 | KEAP1 (0.62) | KEAP1NFE2L2POLBALDH1A1CHRM3 | |
| SCHEMBL403319 | 0.86 | KEAP1 (0.66) | KEAP1NFE2L2POLBALDH1A1CHRM3 | |
| SCHEMBL13574070 | 0.85 | CHRM2 (0.70) | KEAP1NFE2L2POLBALDH1A1CHRM3 | |
| SCHEMBL13574067 | 0.85 | CHRM2 (0.70) | KEAP1NFE2L2POLBALDH1A1CHRM3 | |
| SCHEMBL290176 | 0.85 | CHRM2 (0.70) | KEAP1NFE2L2POLBALDH1A1CHRM3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008096127-A2 | BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USE AS M3 MUSCARINIC RECEPTOR MODULATORS | ARGENTA DISCOVERY LTD (GB) | 2008-08-14 | — | — | WO | disclosed |