Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | CKS1B | P61024 | 2/20 | 0.39 |
| ▸ | SKP1 | P63208 | 2/20 | 0.39 |
| ▸ | SKP2 | Q13309 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.39 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL15933697 | 0.86 | GPR119 (0.47) | GPR119GBA1CKS1BSKP1SKP2 | |
| SCHEMBL15933678 | 0.86 | CSNK1D (0.43) | GPR119CYP3A4CYP3A5GBA1CKS1B | |
| SCHEMBL20140942 | 0.85 | CKS1B (0.49) | GPR119GBA1CKS1BSKP1SKP2 | |
| SCHEMBL15933683 | 0.84 | GPR119 (0.52) | GPR119GBA1ESR2 | |
| SCHEMBL17984905 | 0.83 | ESR2 (0.40) | CYP3A4CYP3A5CKS1BSKP1SKP2 | |
| SCHEMBL15933477 | 0.81 | HDAC4 (0.40) | GPR119GBA1CKS1BSKP1SKP2 | |
| SCHEMBL31612680 | 0.81 | HDAC4 (0.48) | GPR119ESR2MAPTHDAC4ALDH1A1 | |
| SCHEMBL24689567 | 0.80 | NR1H2 (0.43) | GPR119ESR2NR1H2HDAC4MEN1 | |
| SCHEMBL15933535 | 0.80 | GPR119 (0.49) | GPR119ESR2CSNK1DCSNK1EHDAC4 | |
| SCHEMBL15933677 | 0.79 | GPR119 (0.53) | GPR119CKS1BSKP1SKP2NR1H2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014117318-A1 | NOVEL TRIAZOLE ANTIFUNGAL COMPOUNDS, AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD, AND APPLICATION THEREOF | 中国科学院上海药物研究所 (CN) | 2014-08-07 | — | — | WO | disclosed |