Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 5/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4270860 | 0.62 | CHRM5 (0.42) | CHRM5CHRM3CHRM2CHRM1CHRM4 | |
| SCHEMBL21077886 | 0.62 | CHRM5 (0.35) | CHRM5CHRM3CHRM2CHRM1CHRM4 | |
| SCHEMBL21965024 | 0.59 | MEN1 (0.38) | CHRM5CHRM3CHRM2CHRM1CHRM4 | |
| SCHEMBL15468603 | 0.59 | MEN1 (0.38) | CHRM5CHRM3CHRM2CHRM1CHRM4 | |
| SCHEMBL27881959 | 0.59 | — | — | |
| SCHEMBL22455969 | 0.59 | CHRM2 (0.41) | CHRM5CHRM3CHRM2CHRM1CHRM4 | |
| SCHEMBL18444829 | 0.58 | CHRM2 (0.49) | CHRM5CHRM3CHRM2CHRM1CHRM4 | |
| SCHEMBL18444825 | 0.58 | CHRM2 (0.49) | CHRM5CHRM3CHRM2CHRM1CHRM4 | |
| SCHEMBL28525725 | 0.58 | CHRM2 (0.49) | CHRM5CHRM3CHRM2CHRM1CHRM4 | |
| SCHEMBL167264 | 0.57 | CHRNB2 (0.63) | CHRM5CHRM3CHRM2CHRM1CHRM4 |
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-5502214-A | OXIDATION OF CATECHOL WITH OXIDANT, NUCLEOPHILIC REAGENT AND METAL CATALYST | DANA FARBER CANCER INSTITUTE (US) | 1996-03-26 | — | — | US | disclosed |
| WO-1995003267-A9 | 1,2-BENZOQUINONES | — | 1995-06-15 | — | — | WO | disclosed |
| WO-1995003267-A1 | 1,2-BENZOQUINONES | DANA-FARBER CANCER INSTITUTE (US) | 1995-02-02 | — | — | WO | disclosed |