Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.64 |
| ▸ | CYP2C8 | P10632 | 5/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.64 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.64 |
| ▸ | HTR1A | P08908 | 5/20 | 0.59 |
| ▸ | LTA4H | P09960 | 3/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.59 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.59 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.59 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.59 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.58 |
| ▸ | CDK8 | P49336 | 1/20 | 0.56 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL9426326 | 0.90 | CDK8 (0.68) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL9346628 | 0.85 | IAPP (0.62) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL12775019 | 0.80 | CYP3A4 (0.90) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL7795393 | 0.80 | CYP3A4 (0.64) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL9425740 | 0.80 | CDK8 (0.50) | ALOX5CDK8CLK4 | |
| SCHEMBL17546694 | 0.79 | CYP3A4 (0.97) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL4883880 | 0.78 | CYP3A4 (1.00) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL4881362 | 0.78 | CYP3A4 (1.00) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL4885822 | 0.78 | CYP3A4 (1.00) | CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL971599 | 0.78 | CYP3A4 (1.00) | 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-5338745-A | Alzheimer's disease | MITSUI TOATSU CHEMICALS, INCORPORATION (JP) | 1994-08-16 | — | — | US | disclosed |
| EP-0495998-A1 | DIHYDROCAFFEIC ACID AMIDE DERIVATIVE AND APPLICATION THEREOF AS MEDICINE | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1992-07-29 | — | — | EP | disclosed |