Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PLA2G10 | O15496 | 2/20 | 0.39 |
| ▸ | PLA2G5 | P39877 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7623748 | 0.95 | CES2 (0.47) | CES2GAAPOLBCYP1A2CYP3A4 | |
| SCHEMBL7616025 | 0.87 | GAA (0.45) | CES2GAAPOLBCYP1A2CYP3A4 | |
| SCHEMBL7625943 | 0.87 | GAA (0.47) | CES2GAAPOLBCYP1A2CYP3A4 | |
| SCHEMBL7619044 | 0.86 | NPSR1 (0.49) | CES2GAAPOLBCYP1A2CYP3A4 | |
| SCHEMBL7625933 | 0.85 | GAA (0.50) | GAAPOLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7615634 | 0.85 | GAA (0.43) | GAAPOLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7622610 | 0.85 | GAA (0.43) | GAAPOLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7617539 | 0.84 | ALDH1A1 (0.52) | CES2GAAPOLBCYP1A2CYP3A4 | |
| SCHEMBL7623410 | 0.84 | CES2 (0.45) | CES2GAAPOLBCYP1A2CYP3A4 | |
| SCHEMBL7616794 | 0.82 | NPSR1 (0.45) | CES2GAAPOLBCYP1A2CYP3A4 |
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-6436933-B1 | 1-HYDROXY-3-(2-METHYLPROPYL)-5,6-DIPHENYLHYDROPYRAZIN-2-ONE | STRUCTURAL BIOINFORMATICS INC. | 2002-08-20 | — | — | US | claimed |
| US-6436933-B1 | 1-HYDROXY-3-(2-METHYLPROPYL)-5,6-DIPHENYLHYDROPYRAZIN-2-ONE | STRUCTURAL BIOINFORMATICS INC. | 2002-08-20 | — | — | US | disclosed |