Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | PHGDH | O43175 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24199266 | 0.88 | CXCR4 (0.34) | MC4RPHGDHHRH3CHRM5CHRM3 | |
| Piperazine SCHEMBL28179364 | 0.86 | MEN1 (0.38) | HRH3CHRM2CHRM5CYP2D6CHRM1 | |
| SCHEMBL26646493 | 0.86 | MEN1 (0.38) | HRH3CHRM2CHRM5CYP2D6CHRM1 | |
| SCHEMBL12403231 | 0.86 | MEN1 (0.38) | HRH3CHRM2CHRM5CYP2D6CHRM1 | |
| SCHEMBL4543330 | 0.86 | MEN1 (0.38) | HRH3CHRM2CHRM5CYP2D6CHRM1 | |
| SCHEMBL13509549 | 0.86 | MEN1 (0.38) | HRH3CHRM2CHRM5CYP2D6CHRM1 | |
| SCHEMBL4822887 | 0.86 | MEN1 (0.38) | HRH3CHRM2CHRM5CYP2D6CHRM1 | |
| SCHEMBL1706403 | 0.83 | MEN1 (0.39) | HRH3CHRM2CHRM5CYP2D6CHRM1 | |
| SCHEMBL5387 | 0.83 | — | — | |
| SCHEMBL77101 | 0.83 | — | — |
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-2016050209-A1 | HETEROFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD, AND BIO-RELATED SUBSTANCE | 厦门赛诺邦格生物科技有限公司 | 2016-04-07 | — | — | WO | disclosed |