Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29440604 | 0.89 | HDAC4 (0.50) | HDAC4HDAC7HDAC5KDM4ECES2 | |
| SCHEMBL22807046 | 0.89 | HDAC4 (0.50) | HDAC4HDAC7HDAC5KDM4ECES2 | |
| Hydrochloric Acid SCHEMBL5967048 | 0.88 | HDAC4 (0.49) | HDAC4HDAC7HDAC5KDM4ECES2 | |
| SCHEMBL27791221 | 0.86 | HDAC4 (0.39) | HDAC4HDAC7HDAC5KDM4ECES2 | |
| Hydrochloric Acid SCHEMBL7368960 | 0.82 | HDAC4 (0.44) | HDAC4HDAC7HDAC5KDM4ECES2 | |
| SCHEMBL7666131 | 0.82 | L3MBTL1 (0.51) | CES2CES1AOC3ALDH1A1 | |
| SCHEMBL27865114 | 0.80 | KMT2A (0.53) | KDM4EALDH1A1LMNA | |
| SCHEMBL27881338 | 0.80 | KMT2A (0.53) | KDM4EALDH1A1LMNA | |
| SCHEMBL27865085 | 0.80 | KMT2A (0.53) | KDM4EALDH1A1LMNA | |
| SCHEMBL22807068 | 0.80 | LMNA (0.45) | HDAC4HDAC7HDAC5CES2CES1 |
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-2011146401-A1 | NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2011-11-24 | — | — | WO | disclosed |