Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.33 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL28624583 | 0.76 | BCHE (0.37) | CYSLTR2CYSLTR1CYP2D6BCHEMAPT | |
| SCHEMBL18535739 | 0.75 | BCHE (0.31) | CYP2D6BCHEGAAMAPTLMNA | |
| SCHEMBL5266267 | 0.72 | MAOA (0.46) | CYP2D6BCHEGAAMAPTLMNA | |
| SCHEMBL29697456 | 0.72 | MAOA (0.46) | CYP2D6BCHEGAAMAPTLMNA | |
| SCHEMBL28256734 | 0.71 | CYSLTR2 (0.38) | CYSLTR2CYSLTR1CYP2D6BCHEMAPT | |
| Hydrogen Sulfide SCHEMBL30952752 | 0.70 | MAOA (0.44) | CYP2D6BCHEGAAMAPTLMNA | |
| SCHEMBL28560617 | 0.69 | MAOA (0.32) | — | |
| SCHEMBL5945562 | 0.69 | CYP2D6 (0.38) | CYP2D6BCHEMAPTLMNATP53 | |
| SCHEMBL8136843 | 0.68 | GAA (0.39) | CYSLTR2CYSLTR1BCHEGAAMAPT | |
| SCHEMBL28866388 | 0.68 | CYP2D6 (0.33) | CYP2D6LMNATP53TSHRHTR2A |
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-107382962-B | Preparation method of 2-trifluoromethyl-9-allyl-9-thioxanthenol | 江苏同禾药业有限公司 | 2020-11-03 | — | — | CN | disclosed |