Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 4/20 | 0.54 |
| ▸ | PPARA | Q07869 | 4/20 | 0.54 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.47 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 3/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.40 |
| ▸ | CTRC | Q99895 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3236212 | 0.98 | PPARG (0.52) | PPARGPPARASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL6382529 | 0.91 | CTRC (0.46) | PPARGPPARASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL28918374 | 0.88 | CTRC (0.53) | MEN1KMT2AHDAC2CETPCTRC | |
| SCHEMBL2037092 | 0.87 | SLC1A3 (0.50) | PPARGPPARASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL3861924 | 0.87 | PPARG (0.68) | PPARGPPARASLC1A3SLC1A2SLC1A1 | |
| Ammonia Solution, Strong SCHEMBL4867826 | 0.85 | SLC1A3 (0.49) | PPARGPPARASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL3653035 | 0.85 | SLC1A3 (0.49) | PPARGPPARASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL28806561 | 0.84 | SLC1A3 (0.47) | SLC1A3SLC1A2SLC1A1MEN1CYP1A2 | |
| SCHEMBL7900106 | 0.80 | SLC1A3 (0.50) | SLC1A3SLC1A2SLC1A1MEN1CYP1A2 | |
| SCHEMBL28794235 | 0.80 | SLC1A3 (0.50) | SLC1A3SLC1A2SLC1A1MEN1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1537074-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2005-06-08 | — | — | EP | disclosed |
| WO-2004022526-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2004-03-18 | — | — | WO | disclosed |