Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.64 |
| ▸ | CES1 | P23141 | 2/20 | 0.64 |
| ▸ | PTPN1 | P18031 | 12/20 | 0.62 |
| ▸ | PTPN2 | P17706 | 6/20 | 0.62 |
| ▸ | F3 | P13726 | 1/20 | 0.62 |
| ▸ | PNLIP | P16233 | 1/20 | 0.62 |
| ▸ | NOS2 | P35228 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.57 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.57 |
| ▸ | RELA | Q04206 | 3/20 | 0.57 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.54 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.54 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL24190829 | 0.88 | CES2 (0.63) | CES2CES1PTPN1PTPN2F3 | |
| SCHEMBL25464873 | 0.88 | CES2 (0.63) | CES2CES1PTPN1PTPN2F3 | |
| SCHEMBL25465196 | 0.88 | CES2 (0.63) | CES2CES1PTPN1PTPN2F3 | |
| SCHEMBL25465014 | 0.88 | CES2 (0.63) | CES2CES1PTPN1PTPN2F3 | |
| SCHEMBL24190743 | 0.85 | PTPN1 (0.63) | CES2CES1PTPN1PTPN2F3 | |
| SCHEMBL25464933 | 0.84 | PTPN1 (0.60) | CES2CES1PTPN1PTPN2F3 | |
| 3-Oxo-Erythrodiol SCHEMBL18688302 | 0.84 | CES2 (0.76) | CES2CES1PTPN1PTPN2F3 | |
| SCHEMBL24190861 | 0.82 | PTPN1 (0.45) | CES2CES1PTPN1PTPN2F3 | |
| SCHEMBL24190842 | 0.82 | CES2 (0.64) | CES2CES1PTPN1PTPN2F3 | |
| SCHEMBL24190841 | 0.80 | CES2 (0.59) | CES2CES1PTPN1PTPN2F3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4180445-A1 | PENTACYCLIC TRITERPENOID GLYCOSIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2023-05-17 | — | — | EP | disclosed |
| WO-2022007765-A1 | PENTACYCLIC TRITERPENOID GLYCOSIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2022-01-13 | — | — | WO | disclosed |