Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28897805 | 0.81 | CA1 (0.42) | AKR1C3CYP2C9PTGS2FBP1ALOX5 | |
| SCHEMBL28897803 | 0.81 | CA1 (0.42) | AKR1C3CYP2C9PTGS2FBP1ALOX5 | |
| SCHEMBL28449574 | 0.79 | MAPT (0.42) | AKR1C3CYP2C9ALDH1A1 | |
| SCHEMBL28449554 | 0.79 | NFE2L2 (0.43) | TRPA1CYP1A2CYP2C9PTGS2FBP1 | |
| SCHEMBL28449577 | 0.79 | MAPT (0.42) | AKR1C3CYP2C9ALDH1A1 | |
| SCHEMBL28441324 | 0.78 | AKR1C3 (0.43) | AKR1C3AKR1C2AKR1C1HDAC3HDAC4 | |
| SCHEMBL28441323 | 0.78 | AKR1C3 (0.43) | AKR1C3AKR1C2AKR1C1HDAC3HDAC4 | |
| SCHEMBL28897307 | 0.77 | FBP1 (0.46) | AKR1C3AKR1C2AKR1C1CYP1A2CYP2C9 | |
| SCHEMBL28897308 | 0.77 | FBP1 (0.46) | AKR1C3AKR1C2AKR1C1CYP1A2CYP2C9 | |
| SCHEMBL28440173 | 0.76 | CYP1A2 (0.47) | HDAC3HDAC1HDAC11HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111559971-A | Method for constructing iodoalkenyl thioether from olefin, iodine and dimethyl sulfoxide | 沅江华龙催化科技有限公司 | 2020-08-21 | — | — | CN | disclosed |