Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.35 |
| ▸ | SLC2A3 | P11169 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17058357 | 0.94 | SLC2A1 (0.34) | ALDH1A1ALDH1A2ALDH1A3SLC2A1SLC2A3 | |
| SCHEMBL17058393 | 0.88 | SLC2A1 (0.36) | ALDH1A1ALDH1A2ALDH1A3SLC2A1SLC2A3 | |
| SCHEMBL11945420 | 0.85 | MAPT (0.44) | ALDH1A1MAPTNPSR1POLBLMNA | |
| SCHEMBL17058243 | 0.84 | ALDH1A1 (0.36) | ALDH1A1SLC2A1SLC2A3NPC1RAB9A | |
| SCHEMBL17057784 | 0.83 | ALDH1A1 (0.35) | ALDH1A1SLC2A1SLC2A3NPC1RAB9A | |
| SCHEMBL17058397 | 0.83 | ALDH1A1 (0.35) | ALDH1A1SLC2A1SLC2A3NPC1RAB9A | |
| SCHEMBL17058188 | 0.81 | NPC1 (0.39) | ALDH1A1SLC2A1SLC2A3NPC1RAB9A | |
| SCHEMBL17058284 | 0.80 | SLC2A1 (0.38) | ALDH1A1ALDH1A2ALDH1A3SLC2A1SLC2A3 | |
| SCHEMBL11945368 | 0.79 | MAPT (0.39) | ALDH1A1SLC2A1SLC2A3MAPTNPSR1 | |
| SCHEMBL14081373 | 0.79 | ALDH1A1 (0.38) | ALDH1A1SLC2A1SLC2A3NPC1RAB9A |
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 |