Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 3/20 | 0.38 |
| ▸ | NOS2 | P35228 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28229182 | 1.00 | CYP2D6 (0.44) | CYP2D6OPRK1OPRM1LOXL2ENPP2 | |
| SCHEMBL28229240 | 0.83 | KDM4E (0.42) | CYP2D6OPRK1LOXL2CYP2C9TSHR | |
| SCHEMBL28229241 | 0.83 | KDM4E (0.42) | CYP2D6OPRK1LOXL2CYP2C9TSHR | |
| SCHEMBL27640013 | 0.79 | PTGS2 (0.54) | LOXL2ENPP2ADRA1DCYP2C9TSHR | |
| SCHEMBL28229032 | 0.78 | SRC (0.52) | CYP2D6OPRK1OPRM1LOXL2ENPP2 | |
| Hydrochloric Acid SCHEMBL4143443 | 0.78 | PTGS2 (0.53) | LOXL2ENPP2ADRA1DCYP2C9TSHR | |
| SCHEMBL18946106 | 0.77 | ACP3 (0.47) | OPRM1AOC3ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL847191 | 0.77 | ACP3 (0.47) | OPRM1AOC3ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL18920447 | 0.77 | ACP3 (0.47) | OPRM1AOC3ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL1666938 | 0.76 | AKR1C3 (0.47) | LOXL2ENPP2NOS1NOS2ALDH1A1 |
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-108349965-A | 1,3,4- thiadiazole compounds and its purposes in treating cancer | 阿斯利康(瑞典)有限公司 | 2018-07-31 | — | — | CN | disclosed |