Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPBWR1 | P48145 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.40 |
| ▸ | DCTPP1 | Q9H773 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | SLC2A2 | P11168 | 1/20 | 0.35 |
| ▸ | SLC2A3 | P11169 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17057847 | 0.85 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2NPBWR1CYP1A2CYP3A4 | |
| SCHEMBL17057848 | 0.84 | SMN1; SMN2 (0.35) | ALDH1A1SMN1; SMN2NPBWR1NPSR1MCHR1 | |
| SCHEMBL17058239 | 0.82 | NPBWR1 (0.32) | NPBWR1CYP3A4CYP2C19NPSR1MCHR1 | |
| SCHEMBL17058588 | 0.81 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2NPBWR1CYP1A2CYP3A4 | |
| SCHEMBL17058050 | 0.80 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2NPBWR1CYP1A2CYP3A4 | |
| SCHEMBL17057817 | 0.79 | SMN1; SMN2 (0.38) | ALDH1A1SMN1; SMN2NPBWR1CYP1A2CYP3A4 | |
| SCHEMBL17058438 | 0.79 | SMN1; SMN2 (0.36) | ALDH1A1SMN1; SMN2NPBWR1CYP1A2CYP3A4 | |
| SCHEMBL17058442 | 0.79 | DCTPP1 (0.39) | ALDH1A1SMN1; SMN2NPBWR1CYP1A2CYP3A4 | |
| SCHEMBL17058481 | 0.79 | DCTPP1 (0.41) | ALDH1A1SMN1; SMN2NPBWR1CYP1A2CYP3A4 | |
| SCHEMBL17058056 | 0.78 | SMN1; SMN2 (0.37) | ALDH1A1SMN1; SMN2NPBWR1CYP1A2CYP3A4 |
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 |