Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.74 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.55 |
| ▸ | IDO1 | P14902 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | AGXT | P21549 | 2/20 | 0.53 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.50 |
| ▸ | HTR3B | O95264 | 3/20 | 0.50 |
| ▸ | HTR3A | P46098 | 3/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.50 |
| ▸ | TACR1 | P25103 | 2/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24017049 | 1.00 | PNMT (0.74) | PNMTTAAR1IDO1CYP3A4AGXT | |
| SCHEMBL4694047 | 0.88 | PNMT (0.76) | PNMTTAAR1IDO1CYP3A4AGXT | |
| SCHEMBL30363681 | 0.85 | PNMT (1.00) | PNMTTAAR1IDO1CYP3A4AGXT | |
| SCHEMBL1570139 | 0.85 | PNMT (0.71) | PNMTTAAR1IDO1CYP3A4AGXT | |
| SCHEMBL14478283 | 0.85 | PNMT (1.00) | PNMTTAAR1IDO1CYP3A4AGXT | |
| SCHEMBL266685 | 0.85 | PNMT (1.00) | PNMTTAAR1IDO1CYP3A4AGXT | |
| SCHEMBL14018976 | 0.83 | PNMT (0.69) | PNMTTAAR1IDO1CYP3A4AGXT | |
| SCHEMBL17045280 | 0.83 | PNMT (0.69) | PNMTTAAR1IDO1CYP3A4AGXT | |
| SCHEMBL8153800 | 0.83 | PNMT (0.69) | PNMTTAAR1IDO1CYP3A4AGXT | |
| SCHEMBL1570196 | 0.83 | PNMT (0.69) | PNMTTAAR1IDO1CYP3A4AGXT |
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 |