Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13066829 | 0.88 | CYP2C9 (0.50) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL7056273 | 0.88 | CYP2C9 (0.50) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL844743 | 0.83 | CYP2C9 (0.46) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL14912336 | 0.82 | TSHR (0.46) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL844699 | 0.82 | CYP2C9 (0.45) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL13067195 | 0.81 | CYP2C9 (0.44) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL844921 | 0.81 | HTT (0.46) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL20045551 | 0.78 | CYP4F2 (0.44) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL30430977 | 0.78 | CYP4F2 (0.44) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL14912303 | 0.78 | SMN1; SMN2 (0.43) | CYP2C9CYP2C19CA12CA1CA2 |
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-2010132999-A1 | METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS | CHLORION PHARMA, INC. (CA) | 2010-11-25 | — | — | WO | disclosed |