Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 3/20 | 0.45 |
| ▸ | PPARG | P37231 | 3/20 | 0.44 |
| ▸ | PPARA | Q07869 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL9163857 | 0.84 | PLA2G2A (0.65) | CETPPPARGALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL9165252 | 0.82 | TSHR (0.51) | ALDH1A1MAPK1L3MBTL1CYP3A4TSHR | |
| SCHEMBL9172248 | 0.82 | PLA2G2A (0.61) | PLA2G2ABLMCNR2 | |
| SCHEMBL9170066 | 0.81 | CNR2 (0.49) | ALDH1A1MEN1KMT2ACNR2 | |
| SCHEMBL9168493 | 0.80 | PLA2G2A (0.44) | CETPPPARGALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL9172738 | 0.80 | PLA2G2A (0.53) | PPARGPPARAPLA2G2ABLMTHRA | |
| SCHEMBL9163750 | 0.80 | KMT2A (0.45) | ALDH1A1L3MBTL1KMT2AHPGDCNR2 | |
| SCHEMBL10789494 | 0.79 | ALDH1A1 (0.48) | CETPPPARGALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL9164968 | 0.79 | PLA2G2A (0.58) | PPARGALDH1A1MAPK1L3MBTL1CYP3A4 | |
| SCHEMBL9164868 | 0.78 | ALOX15 (0.49) | CETPALDH1A1MAPK1L3MBTL1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5446189-A | Diester intermediates for diacid enzyme inhibitor | HOFFMANN-LA ROCHE INC. (US) | 1995-08-29 | — | — | US | disclosed |
| US-5324747-A | Treatment of inflammatory diseases | HOFFMANN-LA ROCHE INC. (US) | 1994-06-28 | — | — | US | disclosed |
| EP-0579066-A2 | N-substituted anilines | F. HOFFMANN-LA ROCHE AG (CH) | 1994-01-19 | — | — | EP | disclosed |