Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.36 |
| ▸ | CDK4 | P11802 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 2/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | KIF5B | P33176 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29638531 | 0.90 | HDAC3 (0.53) | HDAC3HDAC1HDAC6GRM4HTR1A | |
| SCHEMBL29638579 | 0.82 | TRPA1 (0.44) | HDAC3HDAC1HDAC6GRM4HTR1A | |
| SCHEMBL29638511 | 0.82 | DYRK1A (0.47) | HDAC3HDAC1HDAC6KDRRAF1 | |
| SCHEMBL29638713 | 0.80 | RAPGEF4 (0.41) | HDAC3HDAC1HDAC6HTR1AADRA1D | |
| SCHEMBL29638608 | 0.80 | HDAC3 (0.46) | HDAC3HDAC1HDAC6KDRRAF1 | |
| SCHEMBL15108911 | 0.77 | WNT3A (0.40) | HTR1AADRA1DADRA1AADRA1BLMNA | |
| SCHEMBL24399714 | 0.75 | EGFR (0.36) | HDAC3HDAC1HDAC6LMNAKDR | |
| SCHEMBL29638638 | 0.75 | EGFR (0.36) | HDAC3HDAC1HDAC6LMNAKDR | |
| SCHEMBL8297790 | 0.75 | WNT3A (0.41) | HTR1AADRA1DADRA1AADRA1BLMNA | |
| SCHEMBL13686770 | 0.75 | MAPK1 (0.56) | TNFLRRK2 |
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-2022089219-A1 | ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2022-05-05 | — | — | WO | disclosed |