Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | PPARD | Q03181 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL9796607 | 0.83 | PTGS2 (0.44) | PTGS2SMN1; SMN2ALDH1A1PPARGPPARD | |
| SCHEMBL31500156 | 0.80 | CYP4F2 (0.46) | SMN1; SMN2NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL29550622 | 0.79 | SMN1; SMN2 (0.40) | SMN1; SMN2NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL1295919 | 0.79 | SMN1; SMN2 (0.40) | SMN1; SMN2NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL1579740 | 0.79 | ADRB2 (0.46) | SMN1; SMN2NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL13181038 | 0.79 | NPC1 (0.40) | SMN1; SMN2NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL1301002 | 0.79 | PRKCI (0.50) | CNR2 | |
| SCHEMBL5393111 | 0.77 | PTGS2 (0.57) | PTGS2SMN1; SMN2ALDH1A1PPARGPPARD | |
| SCHEMBL29383868 | 0.77 | PTGS2 (0.57) | PTGS2SMN1; SMN2ALDH1A1PPARGPPARD | |
| SCHEMBL29477070 | 0.77 | PTGS2 (0.57) | PTGS2SMN1; SMN2ALDH1A1PPARGPPARD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010078910-A1 | PYRIDAZINONE DERIVATIVES | MERCK PATENT GMBH (DE) | 2010-07-15 | — | — | WO | disclosed |