Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 5/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 6/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Sulfurous Acid SCHEMBL27268367 | 0.84 | TSHR (0.63) | TSHRALDH1A1TDP1CES2FAAH | |
| Sulfurous Acid SCHEMBL28633151 | 0.81 | TSHR (0.60) | TSHRALDH1A1TDP1CES2FAAH | |
| Hydrogen Sulfide SCHEMBL28135070 | 0.76 | TSHR (0.67) | TSHRALDH1A1TDP1CES2MAPT | |
| SCHEMBL28089651 | 0.76 | TSHR (0.67) | TSHRALDH1A1TDP1CES2MAPT | |
| SCHEMBL28036320 | 0.73 | TSHR (0.71) | TSHRALDH1A1TDP1FAAHLMNA | |
| Methyl Alcohol SCHEMBL10493953 | 0.72 | — | — | |
| SCHEMBL27890170 | 0.72 | — | — | |
| SCHEMBL28123508 | 0.72 | — | — | |
| SCHEMBL9285670 | 0.72 | TSHR (0.92) | TSHRALDH1A1TDP1FAAHLMNA | |
| SCHEMBL276808 | 0.72 | — | — |
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-109503436-A | Difluoro methylthiolation reagent and its preparation method and application | 南京理工大学 | 2019-03-22 | — | — | CN | disclosed |