Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.54 |
| ▸ | CES1 | P23141 | 5/20 | 0.54 |
| ▸ | ERN1 | O75460 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 5/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | PNLIP | P16233 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL27866235 | 0.81 | PARP1 (0.43) | CES2CES1ERN1PARP1DGAT1 | |
| SCHEMBL29695966 | 0.80 | AKR1C2 (0.58) | CES2CES1ERN1AKR1C2AKR1C1 | |
| SCHEMBL2791251 | 0.80 | AKR1C2 (0.58) | CES2CES1ERN1AKR1C2AKR1C1 | |
| SCHEMBL477698 | 0.80 | CES2 (0.68) | CES2CES1ERN1PARP1DGAT1 | |
| SCHEMBL4350297 | 0.79 | DGAT1 (0.58) | CES2ERN1PARP1DGAT1AKR1C2 | |
| SCHEMBL6323127 | 0.78 | ERN1 (0.50) | CES2CES1ERN1AKR1C2AKR1C1 | |
| SCHEMBL29794231 | 0.78 | ERN1 (0.50) | CES2CES1ERN1AKR1C2AKR1C1 | |
| SCHEMBL471441 | 0.78 | ERN1 (0.50) | CES2CES1ERN1AKR1C2AKR1C1 | |
| SCHEMBL2308943 | 0.78 | CES2 (0.48) | CES2CES1ERN1PARP1DGAT1 | |
| SCHEMBL31287993 | 0.77 | DGAT1 (0.50) | CES2CES1ERN1PARP1DGAT1 |
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-2023097386-A1 | SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS | EUROFARMA LABORATÓRIOS S.A (BR) | 2023-06-08 | — | — | WO | disclosed |