Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31096313 | 0.89 | ADRB1 (0.54) | ALDH1A1ADRB1SIRT6HTR7LMNA | |
| SCHEMBL5464512 | 0.89 | ADRB1 (0.54) | ALDH1A1ADRB1SIRT6HTR7LMNA | |
| Tert-Butyl Formate SCHEMBL28761559 | 0.88 | ALDH1A1 (0.54) | ALDH1A1ADRB1SIRT6HTR7MITF | |
| Tert-Butyl Formate SCHEMBL28806303 | 0.86 | ALDH1A1 (0.55) | ALDH1A1ADRB1SIRT6HTR7MITF | |
| Tert-Butyl Formate SCHEMBL27925826 | 0.86 | HTR6 (0.46) | ALDH1A1ADRB1SIRT6HTR7MITF | |
| Alcohol SCHEMBL28776571 | 0.85 | ALDH1A1 (0.49) | ALDH1A1ADRB1SIRT6HTR7MITF | |
| Tert-Butyl Formate SCHEMBL27851911 | 0.84 | HTR6 (0.48) | ALDH1A1ADRB1SIRT6HTR7MITF | |
| Tert-Butyl Formate SCHEMBL27830589 | 0.84 | HTR6 (0.45) | ALDH1A1ADRB1SIRT6HTR7MITF | |
| Tert-Butyl Formate SCHEMBL27769719 | 0.83 | HTT (0.55) | ALDH1A1HTR7LMNASLC6A9HTR1A | |
| Tert-Butyl Formate SCHEMBL27769714 | 0.83 | HTT (0.55) | ALDH1A1HTR7LMNASLC6A9HTR1A |
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-103443102-A | Bicyclic carboxamide inhibitors of kinases | ABBVIE INC | 2013-12-11 | — | — | CN | disclosed |
| CN-102796099-A | Imidazoquinolines as lipid kinase inhibitors | NOVARTIS AG | 2012-11-28 | — | — | CN | disclosed |
| CN-101495477-A | Imidazoquinolines as lipid kinase inhibitors | NOVARTIS AG (CH) | 2009-07-29 | — | — | CN | disclosed |