Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | PAM | P19021 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29016750 | 1.00 | AKT1 (0.51) | AKT1HDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL22146948 | 0.94 | HDAC1 (0.52) | AKT1HDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL17490828 | 0.94 | HDAC1 (0.52) | AKT1HDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL19452350 | 0.90 | AKT1 (0.62) | AKT1HDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL7571411 | 0.90 | AKT1 (0.62) | AKT1HDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL9427247 | 0.84 | GSK3B (0.55) | HDAC1HDAC8HDAC3HDAC4HDAC7 | |
| SCHEMBL9208139 | 0.84 | GSK3B (0.55) | HDAC1HDAC8HDAC3HDAC4HDAC7 | |
| SCHEMBL29260522 | 0.84 | PTGS2 (0.55) | LMNAMAOBTSHRCYP4F2CYP4A11 | |
| SCHEMBL9427239 | 0.84 | GSK3B (0.55) | HDAC1HDAC8HDAC3HDAC4HDAC7 | |
| SCHEMBL11647238 | 0.84 | PAM (0.45) | HDAC1HDAC8HDAC3HDAC4HDAC7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0123543-B1 | LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION AND USE AND COMPOSITIONS CONTAINING THEM | MERCK FROSST CANADA INC. (CA) | 1988-02-03 | — | — | EP | disclosed |
| US-4609744-A | 4-oxo-benzopyran carboxylic acids | MERCK FROSST CANADA INC. (CA) | 1986-09-02 | — | — | US | disclosed |
| EP-0123543-A1 | Leukotriene antagonists, their production and use and compositions containing them | MERCK FROSST CANADA INC. (CA) | 1984-10-31 | — | — | EP | disclosed |