Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 2/20 | 0.35 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11282089 | 0.76 | CYP2C19 (0.31) | CYP2C19 | |
| SCHEMBL7495354 | 0.71 | ALDH1A1 (0.34) | GRIK1GRIK2CYP2C19TSHR | |
| SCHEMBL11342163 | 0.68 | CDC25A (0.34) | GRIK1GRIK2 | |
| SCHEMBL1186169 | 0.67 | TSHR (0.35) | CYP2C19TSHR | |
| SCHEMBL314898 | 0.67 | MME (0.34) | CYP2C19TSHR | |
| SCHEMBL1918464 | 0.67 | CYP2C19 (0.46) | CYP3A4CYP2C19MAPTCYP2C9TSHR | |
| SCHEMBL30685937 | 0.67 | — | — | |
| Cyclobutyrol SCHEMBL312912 | 0.66 | CHRM2 (0.36) | CYP2C19TSHR | |
| Cyclohexane SCHEMBL4027710 | 0.66 | ALDH1A1 (0.38) | CYP2C19TSHR | |
| SCHEMBL21457844 | 0.66 | TSHR (0.39) | CYP2C19TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5667995-A | MICROORGANISM CULTURE, BETA-OXIDATION, BIOSYNTHESIS | FIRMENICH SA (CH) | 1997-09-16 | — | — | US | disclosed |