Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 2/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | XPO1 | O14980 | 2/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 3/20 | 0.45 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL13532215 | 0.90 | BACE1 (0.57) | PDE4DMAOAPTGS1ABCB1CYP1B1 | |
| SCHEMBL6272567 | 0.87 | MAOA (0.54) | PDE4DMAOAPTGS1ABCB1CYP1B1 | |
| SCHEMBL16352046 | 0.86 | CYP1B1 (0.69) | PDE4DMAOAPTGS1ABCB1CYP1B1 | |
| SCHEMBL29740208 | 0.86 | CYP1B1 (0.69) | PDE4DMAOAPTGS1ABCB1CYP1B1 | |
| SCHEMBL10319923 | 0.75 | CYP3A4 (0.57) | MAOAABCB1CYP1B1CYP1A1MAPT | |
| SCHEMBL1714349 | 0.73 | CYP1B1 (0.43) | PDE4DMAOAPTGS1ABCB1CYP1B1 | |
| SCHEMBL30379956 | 0.72 | PDE4D (0.81) | PDE4DMAOAPTGS1ABCB1MAPT | |
| SCHEMBL16341040 | 0.71 | PDE4D (1.00) | PDE4DMAOAPTGS1ABCB1CYP1B1 | |
| SCHEMBL31542614 | 0.71 | CYP3A4 (0.80) | MAOAABCB1CYP1B1CYP1A1MAPT | |
| Osthenol SCHEMBL51013 | 0.71 | PTGS1 (1.00) | PDE4DMAOAPTGS1ABCB1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115385927-B | Separation process and application of furocoumarin natural free radical scavenger in dracocephalum heterophyllum | 中国科学院西北高原生物研究所 | 2024-06-25 | — | — | CN | claimed |
| CN-115385927-B | Separation process and application of furocoumarin natural free radical scavenger in dracocephalum heterophyllum | 中国科学院西北高原生物研究所 | 2024-06-25 | — | — | CN | disclosed |
| CN-118141711-A | Refined crocodile lithospermum oil and extraction method thereof | 广州钛利实业控股有限公司 | 2024-06-07 | — | — | CN | disclosed |