Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 3/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 3/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.31 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23927102 | 0.84 | CYP1A2 (0.34) | NR1H2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL23927099 | 0.84 | CYP1A2 (0.36) | NR1H2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL19990608 | 0.83 | ATM (0.31) | — | |
| SCHEMBL21981531 | 0.83 | ATM (0.31) | — | |
| SCHEMBL2683392 | 0.69 | NR1H2 (0.49) | NR1H2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL5155598 | 0.69 | NR1H2 (0.49) | NR1H2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL584549 | 0.69 | NR1H2 (0.49) | NR1H2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL12235723 | 0.69 | NR1H2 (0.49) | NR1H2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL15909556 | 0.69 | NR1H2 (0.49) | NR1H2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL11099691 | 0.69 | NR1H2 (0.49) | NR1H2CYP1A2POLBCYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109843894-B | Beta-lactamase inhibitors | 诺华股份有限公司 | 2022-02-08 | — | — | CN | disclosed |