Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | KIF11 | P52732 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL28057959 | 0.93 | TSHR (0.64) | TSHRALDH1A1KIF11SMN1; SMN2MEN1 | |
| Tetrabuthylammonium SCHEMBL28169984 | 0.86 | TSHR (0.54) | TSHRALDH1A1KIF11SMN1; SMN2MEN1 | |
| Trifluoromethylbenzene SCHEMBL27930053 | 0.86 | TSHR (0.54) | TSHRALDH1A1KIF11SMN1; SMN2MEN1 | |
| Trifluoromethylbenzene SCHEMBL28075986 | 0.86 | TSHR (0.54) | TSHRALDH1A1KIF11SMN1; SMN2MEN1 | |
| Trifluoromethylbenzene SCHEMBL6391221 | 0.86 | TSHR (0.54) | TSHRALDH1A1KIF11SMN1; SMN2MEN1 | |
| Trifluoromethylbenzene SCHEMBL28122230 | 0.84 | TSHR (0.52) | TSHRALDH1A1KIF11SMN1; SMN2MEN1 | |
| Trifluoromethylbenzene SCHEMBL9651235 | 0.84 | ALDH1A1 (0.52) | TSHRALDH1A1KIF11MEN1LMNA | |
| Trifluoromethylbenzene SCHEMBL27901681 | 0.84 | ALDH1A1 (0.64) | TSHRALDH1A1KIF11MEN1KMT2A | |
| Trifluoromethylbenzene SCHEMBL14891620 | 0.83 | ALDH1A1 (0.70) | TSHRALDH1A1KIF11SMN1; SMN2MEN1 | |
| Trifluoromethylbenzene SCHEMBL3392949 | 0.83 | TSHR (0.70) | TSHRALDH1A1KIF11TRPV6KCNN4 |
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-107540655-A | A kind of new preparation S（Perfluoroalkyl）The method of dibenzothiophenes fluoroform sulphonate | 浙江九洲药业股份有限公司 | 2018-01-05 | — | — | CN | claimed |