Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 2/20 | 1.00 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.64 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Dihydrocubebin SCHEMBL12488032 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| SCHEMBL6154272 | 0.86 | CYP3A4 (0.75) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| SCHEMBL29477360 | 0.85 | CYP3A4 (0.72) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| Safrolglycol SCHEMBL7510518 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| Safrolglycol SCHEMBL11447270 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| Safrolglycol SCHEMBL29368350 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| SCHEMBL28659593 | 0.84 | CYP3A4 (0.78) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| SCHEMBL2783585 | 0.83 | CYP3A4 (0.71) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| SCHEMBL28352484 | 0.83 | SLC6A4 (0.81) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| SCHEMBL1472654 | 0.83 | CYP3A4 (0.71) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 |
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 10 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 |
| WO-2014086480-A1 | LIGNAN COMPOSITIONS | ALPINIA LAUDANUM INSTITUTE OF PHYTOPHARMACEUTICAL SCIENCES AG (CH) | 2014-06-12 | — | — | WO | claimed |
| WO-2014086379-A1 | LIGNAN COMPOSITIONS | ALPINIA LAUDANUM INSTITUTE OF PHYTOPHARMACEUTICAL SCIENCES AG (CH) | 2014-06-12 | — | — | WO | claimed |
| CN-116715710-A | Jasminoides W, extracts containing the same and uses thereof | 井冈山大学 | 2023-09-08 | — | — | CN | disclosed |
| EP-4229639-A1 | METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE | GBS Global Biopharma, Inc. (CA) | 2023-08-23 | — | — | EP | disclosed |
| 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 |
| WO-2014086480-A1 | LIGNAN COMPOSITIONS | ALPINIA LAUDANUM INSTITUTE OF PHYTOPHARMACEUTICAL SCIENCES AG (CH) | 2014-06-12 | — | — | WO | disclosed |
| WO-2014086379-A1 | LIGNAN COMPOSITIONS | ALPINIA LAUDANUM INSTITUTE OF PHYTOPHARMACEUTICAL SCIENCES AG (CH) | 2014-06-12 | — | — | WO | disclosed |