Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.61 |
| ▸ | CNR2 | P34972 | 2/20 | 0.59 |
| ▸ | PPARA | Q07869 | 2/20 | 0.59 |
| ▸ | FTH1 | P02794 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL830182 | 0.89 | CYP3A4 (0.58) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL17865273 | 0.80 | CNR2 (0.57) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL18059877 | 0.80 | CYP3A4 (0.55) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL15588779 | 0.80 | CYP3A4 (0.55) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL24176295 | 0.76 | CYP3A4 (0.77) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL11307470 | 0.76 | CYP3A4 (0.77) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL24176161 | 0.76 | CYP3A4 (0.77) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL29978558 | 0.76 | CYP3A4 (0.77) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| Dihydrocaryophyllen-5-One SCHEMBL24176296 | 0.76 | CYP3A4 (1.00) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| Dihydrocaryophyllen-5-One SCHEMBL24176282 | 0.76 | CYP3A4 (1.00) | CYP3A4CNR2PPARAFTH1CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4229639-A1 | METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE | GBS Global Biopharma, Inc. (CA) | 2023-08-23 | — | — | EP | claimed |
| WO-2022081889-A1 | METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE | GBS GLOBAL BIOPHARMA, INC. (CA) | 2022-04-21 | — | — | WO | claimed |
| US-20220130493-A1 | METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE | GBS GLOBAL BIOPHARMA, INC. (CA) | 2022-04-28 | — | — | US | disclosed |
| WO-2022081889-A1 | METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE | GBS GLOBAL BIOPHARMA, INC. (CA) | 2022-04-21 | — | — | WO | disclosed |