Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | DCTPP1 | Q9H773 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPBWR1 | P48145 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL17057807 | 0.92 | SMN1; SMN2 (0.42) | SMN1; SMN2NPC1RAB9ALMNAPOLB | |
| SCHEMBL17058013 | 0.91 | SMN1; SMN2 (0.41) | SMN1; SMN2NPC1RAB9ALMNAPOLB | |
| SCHEMBL17058183 | 0.91 | NPC1 (0.44) | SMN1; SMN2NPC1RAB9ALMNAPOLB | |
| SCHEMBL17057894 | 0.90 | SMN1; SMN2 (0.41) | SMN1; SMN2NPC1RAB9ALMNAPOLB | |
| SCHEMBL17058312 | 0.89 | SMN1; SMN2 (0.40) | SMN1; SMN2NPC1RAB9ALMNAPOLB | |
| SCHEMBL17057963 | 0.87 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1RAB9ALMNAPOLB | |
| SCHEMBL17058139 | 0.87 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1RAB9ALMNAPOLB | |
| SCHEMBL17058319 | 0.87 | SMN1; SMN2 (0.40) | SMN1; SMN2NPC1RAB9ALMNAPOLB | |
| SCHEMBL17058024 | 0.84 | SLC2A1 (0.33) | POLBMCHR1CYP3A4CYP2C19NPSR1 | |
| SCHEMBL17058267 | 0.83 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1RAB9ALMNAPOLB |
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 |