Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL28281029 | 1.00 | CYP2D6 (0.48) | CYP2D6HTTCHRM4CHRM5CHRM1 | |
| SCHEMBL28282336 | 1.00 | CYP2D6 (0.48) | CYP2D6HTTCHRM4CHRM5CHRM1 | |
| SCHEMBL28281027 | 1.00 | CYP2D6 (0.48) | CYP2D6HTTCHRM4CHRM5CHRM1 | |
| SCHEMBL28281028 | 1.00 | CYP2D6 (0.48) | CYP2D6HTTCHRM4CHRM5CHRM1 | |
| SCHEMBL28282333 | 1.00 | CYP2D6 (0.48) | CYP2D6HTTCHRM4CHRM5CHRM1 | |
| SCHEMBL28282354 | 0.83 | MCHR1 (0.53) | CYP2D6HTTCHRM4CHRM5CHRM1 | |
| SCHEMBL28282377 | 0.83 | MCHR1 (0.53) | CYP2D6HTTCHRM4CHRM5CHRM1 | |
| SCHEMBL28535088 | 0.83 | MCHR1 (0.53) | CYP2D6HTTCHRM4CHRM5CHRM1 | |
| SCHEMBL28282375 | 0.83 | MCHR1 (0.53) | CYP2D6HTTCHRM4CHRM5CHRM1 | |
| SCHEMBL28282358 | 0.83 | MCHR1 (0.53) | CYP2D6HTTCHRM4CHRM5CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109526219-B | Benzenesulfonamides and their use as therapeutic agents | 泽农医药公司 | 2021-03-12 | — | — | CN | disclosed |