Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 3/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | PRCP | P42785 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24017135 | 1.00 | HTR2A (0.43) | HTR2ACA12CA9PNMTCHRNB2 | |
| SCHEMBL1721026 | 0.71 | DRD1 (0.35) | PNMTPRCP | |
| SCHEMBL1165406 | 0.69 | CA12 (0.52) | CA12CA9PNMTPRCP | |
| SCHEMBL2975011 | 0.68 | CA12 (0.35) | CA12CA9PNMTCHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL32672905 | 0.67 | CA12 (0.50) | CA12CA9PNMTPRCP | |
| SCHEMBL11824601 | 0.66 | OPRM1 (0.44) | PNMT | |
| SCHEMBL14395237 | 0.65 | CHRNB2 (0.44) | CHRNB2CHRNA4 | |
| SCHEMBL359803 | 0.65 | CHRNB2 (0.44) | CHRNB2CHRNA4 | |
| SCHEMBL2275751 | 0.65 | CYP2D6 (0.41) | PNMTCHRNB2CHRNA4PRCP | |
| SCHEMBL6702423 | 0.65 | PNMT (0.42) | PNMTCHRNB2CHRNA4PRCP |
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-2021223156-A1 | DIBORON GLYCOL ESTER, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF | 中国科学院上海有机化学研究所 | 2021-11-11 | — | — | WO | disclosed |