Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 4/20 | 0.38 |
| ▸ | HTR6 | P50406 | 3/20 | 0.38 |
| ▸ | HTR1D | P28221 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17058259 | 0.92 | HTR1A (0.39) | POLBCYP3A4CYP2C19PPARGNCOA2 | |
| SCHEMBL17058324 | 0.91 | HTR1A (0.38) | POLBCYP3A4CYP2C19PPARGNCOA2 | |
| SCHEMBL17057927 | 0.87 | HTR6 (0.41) | POLBCYP3A4CYP2C19PPARGNCOA2 | |
| SCHEMBL11944418 | 0.84 | MAPT (0.45) | POLBCYP3A4CYP2C19PPARGNCOA2 | |
| SCHEMBL17058140 | 0.83 | USP2 (0.35) | CYP3A4CYP2C19HTR1AHTR6HTR1D | |
| SCHEMBL17058306 | 0.80 | TP53 (0.44) | POLBCYP3A4CYP2C19PPARGNCOA2 | |
| SCHEMBL17057886 | 0.80 | POLB (0.37) | POLBCYP3A4CYP2C19PPARGNCOA2 | |
| SCHEMBL11944431 | 0.78 | POLB (0.43) | POLBCYP3A4CYP2C19PPARGNCOA2 | |
| SCHEMBL11944545 | 0.78 | POLB (0.42) | POLBCYP3A4CYP2C19PPARGNCOA2 | |
| SCHEMBL11946175 | 0.77 | HTR6 (0.42) | POLBCYP3A4CYP2C19PPARGNCOA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2137179-B1 | PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS | MERCK SHARP & DOHME (US) | 2015-09-02 | — | — | EP | disclosed |