Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | PTGES2 | Q9H7Z7 | 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 | |
|---|---|---|---|---|
| SCHEMBL8002294 | 0.88 | NFE2L2 (0.46) | MAPTNFE2L2CYP1A2CYP2C9MAOB | |
| SCHEMBL7990203 | 0.77 | NFE2L2 (0.47) | NFE2L2CYP1A2CYP2C9MAOBPTGES2 | |
| SCHEMBL7998331 | 0.76 | NFE2L2 (0.48) | MAPTNFE2L2CYP1A2CYP2C9MAOB | |
| SCHEMBL7998337 | 0.76 | NFE2L2 (0.62) | NFE2L2CYP1A2CYP2C9PTGES2 | |
| SCHEMBL8004163 | 0.74 | TSHR (0.42) | ALDH1A1MAPTPPARGNFE2L2CYP1A2 | |
| SCHEMBL7998334 | 0.73 | PTGES2 (0.46) | MAPTPPARGNFE2L2CYP1A2CYP2C9 | |
| SCHEMBL7998940 | 0.72 | NFE2L2 (0.64) | NFE2L2 | |
| SCHEMBL24737365 | 0.72 | MAPT (0.65) | ALDH1A1MAPTCYP1A2CYP2C9TP53 | |
| SCHEMBL564015 | 0.72 | MAPT (0.65) | ALDH1A1MAPTCYP1A2CYP2C9TP53 | |
| SCHEMBL564016 | 0.72 | MAPT (0.65) | ALDH1A1MAPTCYP1A2CYP2C9TP53 |
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-2009120783-A1 | HIGH AFFINITY INHIBITORS OF HEPATITIS C VIRUS NS3/4A PROTEASE | THE JOHNS HOPKINS UNIVERSITY (US) | 2009-10-01 | — | — | WO | disclosed |