Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28991897 | 0.83 | SRC (0.45) | LMNAALDH1A1CYP2D6 | |
| SCHEMBL3428177 | 0.80 | EPHX1 (0.50) | LMNACYP2D6 | |
| SCHEMBL5793312 | 0.79 | TDP1 (0.59) | TDP1L3MBTL1CES1LMNACES2 | |
| SCHEMBL20867964 | 0.76 | CES1 (0.44) | TDP1L3MBTL1CES1LMNACES2 | |
| SCHEMBL28032287 | 0.76 | CES1 (0.44) | TDP1L3MBTL1CES1LMNACES2 | |
| SCHEMBL8804842 | 0.76 | L3MBTL1 (0.55) | TDP1L3MBTL1CES1LMNACES2 | |
| SCHEMBL10882291 | 0.74 | LMNA (0.59) | TDP1L3MBTL1CES1LMNACES2 | |
| SCHEMBL28242285 | 0.74 | CES1 (0.41) | TDP1L3MBTL1CES1LMNACES2 | |
| SCHEMBL22686837 | 0.73 | TDP1 (0.52) | TDP1L3MBTL1CES1LMNACES2 | |
| SCHEMBL22686835 | 0.73 | TDP1 (0.52) | TDP1L3MBTL1CES1LMNACES2 |
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-B | Trifluoromethyl thioperoxide and preparation method thereof | 中国科学院上海有机化学研究所 | 2016-09-07 | — | — | CN | disclosed |