Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 5/20 | 0.38 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL17058465 | 0.90 | POLB (0.43) | POLBNPSR1CYP2C19CYP3A4PPARG | |
| SCHEMBL17058474 | 0.88 | POLB (0.36) | POLBNPSR1CYP2C19CYP3A4PPARG | |
| SCHEMBL17058183 | 0.84 | NPC1 (0.44) | POLBNPSR1CYP2C19CYP3A4MCHR1 | |
| SCHEMBL11945129 | 0.84 | POLB (0.45) | POLBNPSR1CYP2C19CYP3A4PPARG | |
| SCHEMBL11945128 | 0.83 | ALDH1A1 (0.51) | POLBNPSR1CYP2C19CYP3A4PPARG | |
| SCHEMBL14080968 | 0.83 | MCHR1 (0.39) | POLBNPSR1CYP2C19CYP3A4PPARG | |
| SCHEMBL17057905 | 0.81 | ALDH1A1 (0.41) | POLBNPSR1CYP2C19CYP3A4PPARG | |
| SCHEMBL17058037 | 0.80 | POLB (0.41) | POLBNPSR1CYP2C19CYP3A4PPARG | |
| SCHEMBL17057893 | 0.80 | POLB (0.41) | POLBNPSR1CYP2C19CYP3A4PPARG | |
| SCHEMBL11944007 | 0.80 | POLB (0.49) | POLBNPSR1CYP2C19CYP3A4PPARG |
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 |