Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18711606 | 0.83 | NR3C1 (0.44) | MEN1KMT2ANR3C1CHRM3NR3C2 | |
| SCHEMBL9607555 | 0.82 | HDAC6 (0.41) | HDAC6HDAC3HDAC1HDAC2TSHR | |
| SCHEMBL18802727 | 0.82 | MEN1 (0.42) | MEN1KMT2ANR3C1CHRM3PTGS1 | |
| SCHEMBL1507033 | 0.80 | KCNN4 (0.43) | HDAC6HDAC3HDAC1HDAC2MEN1 | |
| SCHEMBL29727285 | 0.80 | KCNN4 (0.43) | HDAC6HDAC3HDAC1HDAC2MEN1 | |
| SCHEMBL10035077 | 0.80 | HDAC6 (0.40) | HDAC6HDAC3HDAC1HDAC2NR3C1 | |
| SCHEMBL21916381 | 0.78 | HDAC6 (0.39) | HDAC6HDAC3HDAC1HDAC2NR3C1 | |
| SCHEMBL18701599 | 0.78 | PTGS1 (0.42) | MEN1KMT2ANR3C1TSHRPTGS1 | |
| SCHEMBL12180439 | 0.77 | TDP1 (0.46) | MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL9272585 | 0.77 | ESR1 (0.41) | MEN1KMT2ATSHRALDH1A1TNKS |
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 |
|---|---|---|---|---|---|---|---|
| EP-3407877-B1 | NLRP3 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY SKIN DISORDERS | GALDERMA RES & DEV (FR) | 2020-03-04 | — | — | EP | disclosed |