Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | PLEC | Q15149 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10123583 | 0.96 | CYP2C19 (0.60) | CYP2C19CYP3A4CYP2C9ALDH1A1MAPT | |
| SCHEMBL422195 | 0.88 | CYP3A4 (0.69) | CYP2C19CYP3A4CYP2C9ALDH1A1MAPT | |
| SCHEMBL10123508 | 0.73 | MAPT (0.47) | CYP2C19CYP3A4CYP2C9MAPTKDM4E | |
| SCHEMBL10123473 | 0.73 | PDK1 (0.62) | ALDH1A1MAPTTP53GAAPDK1 | |
| SCHEMBL10123376 | 0.72 | PDK1 (0.60) | ALDH1A1MAPTKDM4EGAAL3MBTL1 | |
| SCHEMBL29663729 | 0.72 | MAPT (0.69) | CYP2C19CYP3A4CYP2C9ALDH1A1MAPT | |
| SCHEMBL10123511 | 0.72 | MAPT (0.67) | ALDH1A1MAPTKDM4ETP53GAA | |
| SCHEMBL10123510 | 0.70 | KMT2A (0.59) | ALDH1A1MAPTKDM4ETP53GAA | |
| SCHEMBL10123470 | 0.70 | MAPT (0.64) | MAPTKDM4ETP53GAATHRB | |
| SCHEMBL10123384 | 0.69 | MAPT (0.67) | ALDH1A1MAPTKDM4ETP53GAA |
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-2008147474-A2 | SULFONYL SEMICARBAZIDES, CARBONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES | SIGA TECHNOLOGIES, INC. (US) | 2008-12-04 | — | — | WO | disclosed |