Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.46 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 3/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | NEK2 | P51955 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SLC9A5 | Q14940 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29546527 | 1.00 | SIRT2 (0.46) | SIRT2SIRT1SIRT3PIM1PIM3 | |
| SCHEMBL28145053 | 0.98 | SIRT2 (0.43) | SIRT2SIRT1SIRT3PIM1PIM3 | |
| SCHEMBL4060441 | 0.83 | HTR2C (0.43) | PIM1PIM3ALDH1A1KDM4E | |
| SCHEMBL15733283 | 0.83 | AURKA (0.47) | CYP1A2CYP2C9HTTKDM4EGAA | |
| SCHEMBL31687675 | 0.83 | MEN1 (0.42) | CYP1A2CYP2C19CYP2C9NEK2MEN1 | |
| SCHEMBL17859394 | 0.80 | HCRTR1 (0.44) | PIM1PIM3PIM2CYP1A2CYP2C19 | |
| SCHEMBL6600852 | 0.77 | MAPK1 (0.44) | SIRT2SIRT1SIRT3PIM1PIM3 | |
| SCHEMBL6600850 | 0.77 | MAPK1 (0.44) | SIRT2SIRT1SIRT3PIM1PIM3 | |
| SCHEMBL19566074 | 0.76 | HCRTR1 (0.47) | PIM1PIM3PIM2CYP1A2CYP2C19 | |
| SCHEMBL3891024 | 0.76 | L3MBTL1 (0.43) | PIM1PIM3PIM2CYP1A2CYP2C19 |
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-104080769-B | Aryl or heteroaryl substituted benzene compounds | EPIZYME股份有限公司 | 2017-06-20 | — | — | CN | disclosed |
| EP-1638953-A1 | 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS | AstraZeneca AB (SE) | 2006-03-29 | — | — | EP | disclosed |
| WO-2004111034-A1 | 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS | ASTRAZENECA AB (SE) | 2004-12-23 | — | — | WO | disclosed |