Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.67 |
| ▸ | CYP2C8 | P10632 | 5/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.67 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.67 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.61 |
| ▸ | HTR1A | P08908 | 5/20 | 0.61 |
| ▸ | LTA4H | P09960 | 3/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.61 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.61 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.61 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL21034088 | 0.95 | CYP3A4 (0.71) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16661624 | 0.93 | ALOX5 (0.65) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16661623 | 0.93 | ALOX5 (0.65) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| Dihydroferulic Acid Propyl Ester SCHEMBL22353585 | 0.92 | ALOX5 (0.63) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL4288930 | 0.90 | CYP1A2 (0.67) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL9241128 | 0.89 | LTA4H (0.58) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL11936829 | 0.87 | CYP1A2 (0.71) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL27667234 | 0.87 | ALOX5 (0.58) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL30168225 | 0.86 | ALDH1A1 (0.60) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL17179861 | 0.86 | ALDH1A1 (0.60) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-20200317593-A1 | LIGNIN CONVERSION TO PHENOLIC MOLECULES USING TRANSITION METAL CATALYSTS | SPERO RENEWABLES, LLC | 2020-10-08 | — | — | US | disclosed |
| EP-3717496-A1 | LIGNIN CONVERSION TO PHENOLIC MOLECULES USING TRANSITION METAL CATALYSTS | Spero Renewables, LLC (US) | 2020-10-07 | — | — | EP | disclosed |