Predicted protein targets (top 20)
| 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 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.41 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.41 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | GRAMD1A | Q96CP6 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 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 | |
|---|---|---|---|---|
| SCHEMBL29978014 | 0.91 | NR1H2 (0.50) | NR1H2HDAC6ESR2ADORA1MAPT | |
| SCHEMBL6421478 | 0.88 | NR1H2 (0.54) | NR1H2HDAC6ESR2ADORA1BRD4 | |
| SCHEMBL743782 | 0.84 | HDAC6 (0.54) | NR1H2HDAC6ESR2ADORA1BRD4 | |
| SCHEMBL8555269 | 0.84 | HDAC6 (0.54) | NR1H2HDAC6ESR2ADORA1BRD4 | |
| SCHEMBL978284 | 0.83 | HDAC6 (0.59) | NR1H2HDAC6ESR2ADORA1BRD4 | |
| SCHEMBL8558892 | 0.83 | NR1H2 (0.51) | NR1H2HDAC6ESR2ADORA1BRD4 | |
| SCHEMBL1174513 | 0.82 | HDAC6 (0.72) | NR1H2HDAC6ESR2ADORA1BRD4 | |
| SCHEMBL6422061 | 0.81 | NR1H2 (0.52) | NR1H2HDAC6ESR2ADORA1BRD4 | |
| SCHEMBL14876121 | 0.81 | NR1H2 (0.60) | NR1H2HDAC6ESR2ADORA1BRD4 | |
| SCHEMBL1174301 | 0.81 | ADORA1 (0.57) | NR1H2HDAC6ESR2ADORA1BRD4 |
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 |