Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.36 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.35 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.35 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.35 |
| ▸ | KLK7 | P49862 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 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 | |
|---|---|---|---|---|
| SCHEMBL27965685 | 0.88 | TSHR (0.36) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9425606 | 0.84 | ABCB1 (0.39) | ABCB1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9425643 | 0.84 | ABCB1 (0.39) | ABCB1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9425388 | 0.84 | ABCB1 (0.39) | ABCB1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27767276 | 0.80 | — | — | |
| SCHEMBL27914285 | 0.79 | CA1 (0.49) | ABCB1NR1H2NR1H3 | |
| SCHEMBL28064896 | 0.79 | RIPK1 (0.48) | L3MBTL1 | |
| SCHEMBL27767322 | 0.78 | ABCB1 (0.39) | ABCB1NR1H2NR1H3PLA2G10PLA2G5 | |
| SCHEMBL27510237 | 0.77 | CA1 (0.49) | — | |
| SCHEMBL27853009 | 0.77 | MME (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102459246-B | Isoxazol-3 (2H) -one analogs as therapeutic agents | ASTRAZENECA AB | 2014-05-07 | — | — | CN | disclosed |
| CN-102459246-A | Isoxazol-3 (2H) -one analogs as therapeutic agents | ASTRAZENECA AB | 2012-05-16 | — | — | CN | disclosed |