Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 9/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 14/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17058467 | 0.94 | NPSR1 (0.33) | NPBWR1NPSR1ALDH1A1SMN1; SMN2SLC2A1 | |
| SCHEMBL17058510 | 0.92 | SLC2A1 (0.32) | MCHR1SLC2A1SLC2A3 | |
| SCHEMBL17058205 | 0.92 | SLC2A1 (0.34) | MCHR1NPBWR1NPSR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL17058248 | 0.91 | SLC2A1 (0.31) | SLC2A1SLC2A3 | |
| SCHEMBL17058575 | 0.90 | SLC2A1 (0.30) | SLC2A1SLC2A3 | |
| SCHEMBL17058210 | 0.88 | — | — | |
| SCHEMBL17058234 | 0.88 | MAPK1 (0.33) | NPSR1SLC2A1SLC2A3LMNACYP3A4 | |
| SCHEMBL17058512 | 0.87 | LMNA (0.32) | ALDH1A1SMN1; SMN2SLC2A1SLC2A3LMNA | |
| SCHEMBL17058576 | 0.87 | ABL1 (0.34) | NPSR1SLC2A1SLC2A3CYP3A4CYP2C19 | |
| SCHEMBL17058543 | 0.86 | — | — |
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 |