Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.42 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.42 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.42 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL5256841 | 0.94 | PNMT (0.48) | PPARAMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4514434 | 0.86 | ASIC3 (0.41) | ASIC3CD274HRH3PNMTDRD2 | |
| SCHEMBL13962593 | 0.82 | ASIC3 (0.50) | ASIC3CD274HRH3PNMTDRD2 | |
| SCHEMBL4519555 | 0.81 | PNMT (0.46) | PNMT | |
| Oxalic Acid SCHEMBL7199943 | 0.78 | CD274 (0.52) | CYP1A2CYP2D6LMNATSHRASIC3 | |
| SCHEMBL1076918 | 0.78 | PPARA (0.51) | PPARACYP1A2CYP3A4TSHRPPARG | |
| SCHEMBL27919692 | 0.77 | ASIC3 (0.47) | ASIC3CD274HRH3PNMTDRD2 | |
| SCHEMBL6952795 | 0.76 | ASIC3 (0.50) | ASIC3HRH3PNMTDRD2DRD3 | |
| SCHEMBL7979150 | 0.76 | ASIC3 (0.50) | ASIC3HRH3PNMTDRD2DRD3 | |
| SCHEMBL5255761 | 0.76 | TDP1 (0.49) | CYP1A2CYP2C19CYP2C9ASIC3CD274 |
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-1979347-A2 | POLYCYCLIC 1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES AND COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS | IRM LLC (BM) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007089557-A2 | POLYCYCLIC 1, 2, 3, 4 -TETRAHYDRO- ISOQUINOLINE DERIVATIVES AND COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS | IRM LLC (BM) | 2007-08-09 | — | — | WO | disclosed |