Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | GRAMD1A | Q96CP6 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 6/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29978161 | 0.91 | NR1H2 (0.50) | NR1H2HDAC6ESR2ADORA1KDM4E | |
| SCHEMBL27141410 | 0.86 | HDAC6 (0.58) | NR1H2HDAC6ESR2ADORA1KDM4E | |
| SCHEMBL976244 | 0.84 | ADORA1 (0.55) | NR1H2HDAC6ESR2ADORA1KDM4E | |
| SCHEMBL27081538 | 0.83 | HDAC6 (0.59) | NR1H2HDAC6ESR2ADORA1KDM4E | |
| SCHEMBL980137 | 0.81 | ADORA1 (0.60) | NR1H2HDAC6ESR2ADORA1KDM4E | |
| SCHEMBL13985779 | 0.79 | ESR2 (0.55) | NR1H2HDAC6ESR2ADORA1KDM4E | |
| SCHEMBL6421478 | 0.79 | NR1H2 (0.54) | NR1H2HDAC6ESR2ADORA1KDM4E | |
| SCHEMBL986037 | 0.78 | ESR2 (0.54) | NR1H2HDAC6ESR2ADORA1KDM4E | |
| SCHEMBL26619115 | 0.78 | HDAC6 (0.47) | NR1H2HDAC6ESR2ADORA1KDM4E | |
| SCHEMBL27108523 | 0.78 | NR1H2 (0.53) | NR1H2HDAC6ESR2ADORA1KDM4E |
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-2022234470-A1 | NOVEL FUSED HETEROCYCLIC COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI | PI INDUSTRIES LTD. (IN) | 2022-11-10 | — | — | WO | disclosed |