Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL19978889 | 1.00 | NR1H2 (0.37) | NR1H2NR1H3PDE4BNFKB1NFKB2 | |
| SCHEMBL19972949 | 0.87 | NFKB1 (0.37) | NR1H2NR1H3NFKB1NFKB2RELA | |
| SCHEMBL19972948 | 0.87 | NFKB1 (0.37) | NR1H2NR1H3NFKB1NFKB2RELA | |
| SCHEMBL19972951 | 0.87 | NFKB1 (0.37) | NR1H2NR1H3NFKB1NFKB2RELA | |
| SCHEMBL19978927 | 0.83 | NR1H2 (0.35) | NR1H2NR1H3PDE4BNFKB1NFKB2 | |
| SCHEMBL15423576 | 0.78 | NR1H2 (0.41) | NR1H2NR1H3PDE4BNFKB1NFKB2 | |
| SCHEMBL16558944 | 0.75 | HSD17B10 (0.36) | NR1H2NR1H3CYP1A2POLBCYP3A4 | |
| SCHEMBL16558945 | 0.74 | NFKB1 (0.33) | NR1H2NR1H3NFKB1NFKB2RELA | |
| SCHEMBL19978789 | 0.71 | GPR119 (0.37) | NR1H2NFKB1NFKB2RELAPTPN1 | |
| SCHEMBL19978859 | 0.71 | GPR119 (0.37) | NR1H2NFKB1NFKB2RELAPTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3512851-A1 | BETA-LACTAMASE INHIBITOR COMPOUNDS | Entasis Therapeutics Limited (GB) | 2019-07-24 | — | — | EP | disclosed |
| WO-2018053215-A1 | BETA-LACTAMASE INHIBITOR COMPOUNDS | ENTASIS THERAPEUTICS LIMITED (GB) | 2018-03-22 | — | — | WO | disclosed |