Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9108451 | 0.78 | KMT2A (0.47) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL8817264 | 0.74 | MAPT (0.44) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL27288082 | 0.74 | MAPT (0.44) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL16556238 | 0.73 | KMT2A (0.42) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL30904653 | 0.73 | CYP2C19 (0.46) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL4517129 | 0.73 | MAPT (0.50) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL4517127 | 0.73 | MAPT (0.50) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL4517619 | 0.73 | MAPT (0.50) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL11305280 | 0.72 | CYP2C19 (0.44) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL3629687 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 |
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-104945298-A | Trifluoromethyl thioperoxide and preparation method thereof | SHANGHAI INST ORGANIC CHEM | 2015-09-30 | — | — | CN | disclosed |