Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | PPARD | Q03181 | 2/20 | 0.45 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.44 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL9042662 | 0.87 | HDAC1 (0.51) | HDAC1HDAC8PPARGPPARDPPARA | |
| SCHEMBL9043319 | 0.84 | HDAC1 (0.56) | HDAC1HDAC8PPARGPPARDPPARA | |
| SCHEMBL9041806 | 0.82 | PPARG (0.59) | HDAC1PPARGPPARDPPARAMEN1 | |
| SCHEMBL9042608 | 0.82 | PPARA (0.38) | HDAC1HDAC8PPARGPPARDPPARA | |
| SCHEMBL9119262 | 0.81 | MEN1 (0.47) | HDAC1MEN1KMT2AMAPTRAB9A | |
| SCHEMBL9042013 | 0.80 | HDAC1 (0.52) | HDAC1HDAC8PPARGPPARDPPARA | |
| SCHEMBL9041562 | 0.80 | PPARG (0.50) | HDAC1HDAC8PPARGPPARDPPARA | |
| SCHEMBL9043389 | 0.79 | PPARG (0.54) | HDAC1PPARGPPARDPPARAMAPT | |
| SCHEMBL9045735 | 0.78 | HDAC3 (0.55) | HDAC1HDAC8MEN1KMT2ARAB9A | |
| SCHEMBL9041688 | 0.78 | CNR2 (0.50) | HDAC1HDAC8PPARGPPARDPPARA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0512352-B1 | Substituted carboxylic acid derivatives | HOFFMANN LA ROCHE (CH) | 1996-03-27 | — | — | EP | disclosed |
| US-5344843-A | Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders | HOFFMAN-LA ROCHE INC. (US) | 1994-09-06 | — | — | US | disclosed |
| EP-0512352-A2 | Substituted carboxylic acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1992-11-11 | — | — | EP | disclosed |