Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.46 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30149259 | 0.77 | ERN1 (0.48) | NFE2L2SLC22A12ERN1NPC1POLB | |
| SCHEMBL844273 | 0.77 | ERN1 (0.48) | NFE2L2SLC22A12ERN1NPC1POLB | |
| SCHEMBL25398893 | 0.77 | NFE2L2 (0.39) | NFE2L2SLC22A12CYP17A1ERN1NPC1 | |
| SCHEMBL4943413 | 0.74 | SLC22A12 (0.46) | NFE2L2SLC22A12CYP17A1MEN1CYP1A2 | |
| SCHEMBL16446421 | 0.74 | NFE2L2 (0.40) | NFE2L2SLC22A12CYP17A1ERN1NPC1 | |
| SCHEMBL3663643 | 0.73 | NFE2L2 (0.36) | NFE2L2SLC22A12CYP17A1ERN1NPC1 | |
| SCHEMBL29988644 | 0.72 | NFE2L2 (0.40) | NFE2L2SLC22A12ERN1NPC1POLB | |
| SCHEMBL28823336 | 0.71 | SLC22A12 (0.38) | SLC22A12CYP17A1CYP1A2CYP2D6ERN1 | |
| SCHEMBL5700277 | 0.70 | SLC22A12 (0.46) | NFE2L2SLC22A12CYP17A1MEN1CYP1A2 | |
| SCHEMBL28541116 | 0.70 | SLC22A12 (0.43) | NFE2L2SLC22A12CYP17A1PTGS1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1865940-B1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2013-02-13 | — | — | EP | claimed |