Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 11/20 | 0.53 |
| ▸ | PPARG | P37231 | 10/20 | 0.53 |
| ▸ | PPARD | Q03181 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 5/20 | 0.46 |
| ▸ | CTSK | P43235 | 5/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL5921691 | 1.00 | PPARA (0.53) | PPARAPPARGPPARDCYP1A2CYP2C9 | |
| SCHEMBL13640190 | 1.00 | PPARA (0.53) | PPARAPPARGPPARDCYP1A2CYP2C9 | |
| SCHEMBL12752640 | 0.88 | PPARA (0.51) | PPARAPPARGPPARDCYP1A2CYP2C9 | |
| SCHEMBL2082970 | 0.87 | PPARA (0.53) | PPARAPPARGPPARDCYP1A2CYP2C9 | |
| SCHEMBL7860189 | 0.87 | PPARA (0.53) | PPARAPPARGPPARDCYP1A2CYP2C9 | |
| SCHEMBL18341304 | 0.86 | CYP1A2 (0.51) | PPARAPPARGPPARDCYP1A2CYP2C9 | |
| SCHEMBL18340827 | 0.86 | CYP1A2 (0.51) | PPARAPPARGPPARDCYP1A2CYP2C9 | |
| SCHEMBL18954453 | 0.86 | PPARA (0.55) | PPARAPPARGPPARDCYP1A2CYP2C9 | |
| SCHEMBL18340826 | 0.86 | CYP1A2 (0.51) | PPARAPPARGPPARDCYP1A2CYP2C9 | |
| SCHEMBL23927278 | 0.85 | PPARA (0.64) | PPARAPPARGPPARDCYP1A2CYP2C9 |
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-2004083173-A2 | KETOPIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS | MERCK & CO., INC. (US) | 2004-09-30 | — | — | WO | disclosed |