Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 8/20 | 0.52 |
| ▸ | CES2 | O00748 | 7/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12313022 | 0.79 | TDP1 (0.40) | CES1CES2FFAR3TSHRALDH1A1 | |
| SCHEMBL4391467 | 0.74 | — | — | |
| SCHEMBL17165296 | 0.74 | — | — | |
| SCHEMBL24667350 | 0.73 | CES1 (0.44) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL9695768 | 0.72 | — | — | |
| SCHEMBL108642 | 0.71 | CES1 (1.00) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL27458947 | 0.71 | LMNA (0.39) | FFAR3TSHRALDH1A1CA1KDM4E | |
| SCHEMBL10395982 | 0.70 | ALDH1A1 (0.43) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL3208067 | 0.70 | CES1 (0.52) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL20593969 | 0.69 | CES1 (0.69) | CES1CES2HDAC3HDAC1HDAC2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111807941-B | Method for synthesizing alpha-diketone compound by catalyzing with metal salt | 武汉理工大学 | 2022-07-05 | — | — | CN | disclosed |
| CN-111807941-A | Method for synthesizing alpha-diketone compound by catalyzing with metal salt | 武汉理工大学 | 2020-10-23 | — | — | CN | disclosed |