Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.33 |
| ▸ | HTR6 | P50406 | 4/20 | 0.33 |
| ▸ | HTR7 | P34969 | 3/20 | 0.33 |
| ▸ | HTR2B | P41595 | 3/20 | 0.33 |
| ▸ | HTR1D | P28221 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.33 |
| ▸ | USP2 | O75604 | 8/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.33 |
| ▸ | CASP1 | P29466 | 8/20 | 0.33 |
| ▸ | CASP7 | P55210 | 8/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 8/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.33 |
| ▸ | GLA | P06280 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17058101 | 0.91 | HTR1A (0.33) | HTR1AHTR6HTR7HTR2BHTR1D | |
| SCHEMBL11946126 | 0.90 | USP2 (0.34) | HTR1AHTR6HTR7HTR2BHTR1D | |
| SCHEMBL14899770 | 0.89 | MCHR1 (0.33) | HTR1AHTR6CYP3A4ALDH1A1USP2 | |
| SCHEMBL11946122 | 0.89 | POLB (0.39) | HTR6HTR2ACYP3A4ALDH1A1USP2 | |
| SCHEMBL14899899 | 0.86 | USP2 (0.35) | HTR1AHTR6HTR7HTR2BHTR1D | |
| SCHEMBL11944754 | 0.83 | POLB (0.36) | CYP3A4ALDH1A1SLC2A1SLC2A3CYP2C19 | |
| SCHEMBL17058090 | 0.82 | ALDH1A1 (0.38) | HTR1AHTR6HTR7HTR2BHTR1D | |
| SCHEMBL11946167 | 0.81 | POLB (0.38) | CYP3A4ALDH1A1USP2CYP1A2CASP1 | |
| SCHEMBL14899779 | 0.81 | ALDH1A1 (0.37) | HTR1AHTR6HTR7HTR2BHTR1D | |
| SCHEMBL11946125 | 0.80 | POLB (0.40) | HTR6HTR2ACYP3A4ALDH1A1USP2 |
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 |