Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | GRAMD1A | Q96CP6 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21962422 | 0.91 | NR1H2 (0.52) | ESR2NR1H2ADORA1BRD4CREBBP | |
| SCHEMBL4183295 | 0.86 | ESR2 (0.50) | ESR2NR1H2ADORA1BRD4CREBBP | |
| SCHEMBL21962254 | 0.83 | ESR2 (0.47) | ESR2NR1H2ADORA1BRD4CREBBP | |
| SCHEMBL22012113 | 0.83 | NR1H2 (0.45) | ESR2NR1H2ADORA1BRD4CREBBP | |
| SCHEMBL14876121 | 0.81 | NR1H2 (0.60) | ESR2NR1H2ADORA1BRD4CREBBP | |
| SCHEMBL21962187 | 0.80 | ESR2 (0.44) | ESR2NR1H2ADORA1BRD4CREBBP | |
| SCHEMBL6421569 | 0.79 | ESR2 (0.55) | ESR2NR1H2ADORA1BRD4CREBBP | |
| SCHEMBL6421478 | 0.79 | NR1H2 (0.54) | ESR2NR1H2ADORA1BRD4CREBBP | |
| SCHEMBL22369230 | 0.78 | ESR2 (0.54) | ESR2NR1H2ADORA1BRD4CREBBP | |
| SCHEMBL1017283 | 0.78 | ESR2 (0.54) | ESR2NR1H2ADORA1BRD4CREBBP |
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-2020102576-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |