Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 3/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSH | P09668 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28469779 | 0.81 | ALDH1A1 (0.43) | CNR2CYP2C19HDAC1CYP1A2CYP2D6 | |
| SCHEMBL14360139 | 0.79 | TBXAS1 (0.60) | TBXAS1CYP2C19HDAC1HDAC7CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL28562956 | 0.77 | TBXAS1 (0.59) | TBXAS1CYP2C19HDAC1HDAC7CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL28556745 | 0.77 | TBXAS1 (0.59) | TBXAS1CYP2C19HDAC1HDAC7CYP2D6 | |
| SCHEMBL20986026 | 0.76 | CYP2D6 (0.43) | CNR1CNR2CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL28807878 | 0.75 | TBXAS1 (0.51) | TBXAS1CYP2C19HDAC1HDAC7CYP2D6 | |
| SCHEMBL27360178 | 0.75 | PPARA (0.48) | TBXAS1CNR1CNR2CYP2C19SMN1; SMN2 | |
| SCHEMBL15474468 | 0.75 | RIPK1 (0.50) | TBXAS1CNR1CNR2CYP2C19HDAC1 | |
| SCHEMBL2550963 | 0.75 | TBXAS1 (0.54) | TBXAS1CNR2CYP2C19ALDH1A1LMNA | |
| SCHEMBL2555641 | 0.75 | TBXAS1 (0.54) | TBXAS1CNR2CYP2C19ALDH1A1LMNA |
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-1326822-A2 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002030860-A2 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2002-04-18 | — | — | WO | disclosed |