Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | PLEC | Q15149 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13993306 | 0.96 | CYP2C19 (0.58) | CYP2C19CYP3A4CYP2C9MAPTGAA | |
| SCHEMBL422195 | 0.92 | CYP3A4 (0.69) | CYP2C19CYP3A4CYP2C9MAPTGAA | |
| SCHEMBL29663729 | 0.73 | MAPT (0.69) | CYP2C19CYP3A4CYP2C9MAPTTP53 | |
| SCHEMBL419955 | 0.71 | MAPT (0.52) | CYP2C19CYP3A4CYP2C9MAPTGAA | |
| SCHEMBL418319 | 0.70 | PDK1 (0.65) | MAPTGAAKDM4ETP53THRB | |
| SCHEMBL420632 | 0.70 | MAPT (0.67) | MAPTGAAKDM4EL3MBTL1ALDH1A1 | |
| SCHEMBL420210 | 0.69 | MAPT (0.76) | MAPTGAAKDM4ETP53THRB | |
| SCHEMBL19454815 | 0.69 | ALDH1A1 (0.59) | CYP2C19CYP3A4CYP2C9MAPTTP53 | |
| SCHEMBL10123508 | 0.69 | MAPT (0.47) | CYP2C19CYP3A4CYP2C9MAPTGAA | |
| SCHEMBL10123473 | 0.68 | PDK1 (0.62) | MAPTGAATP53ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012060820-A1 | SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES | SIGA TECHNOLOGIES, INC. (US) | 2012-05-10 | — | — | WO | disclosed |