Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | USP2 | O75604 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CASP1 | P29466 | 3/20 | 0.38 |
| ▸ | CASP7 | P55210 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14899779 | 0.96 | ALDH1A1 (0.37) | ALDH1A1CYP3A4USP2TP53CYP1A2 | |
| SCHEMBL17058361 | 0.89 | ALDH1A1 (0.38) | ALDH1A1CYP3A4KMT2ALMNASLC2A1 | |
| SCHEMBL17057795 | 0.87 | SLC2A1 (0.37) | ALDH1A1CYP3A4KMT2ALMNASLC2A1 | |
| SCHEMBL11944345 | 0.86 | ALDH1A1 (0.49) | ALDH1A1CYP3A4KMT2ALMNASLC2A1 | |
| SCHEMBL14899738 | 0.84 | SMN1; SMN2 (0.43) | ALDH1A1CYP3A4USP2CYP1A2HIF1A | |
| SCHEMBL11944867 | 0.84 | MAPT (0.41) | ALDH1A1CYP3A4USP2HSD17B10KMT2A | |
| SCHEMBL11944484 | 0.84 | MAPT (0.41) | ALDH1A1CYP3A4USP2HSD17B10KMT2A | |
| SCHEMBL14899899 | 0.84 | USP2 (0.35) | ALDH1A1CYP3A4USP2TP53CYP1A2 | |
| SCHEMBL17058101 | 0.83 | HTR1A (0.33) | ALDH1A1CYP3A4USP2TP53CYP1A2 | |
| SCHEMBL17058285 | 0.82 | HTR1A (0.33) | ALDH1A1CYP3A4USP2TP53CYP1A2 |
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 |