Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 3/20 | 0.47 |
| ▸ | PPARA | Q07869 | 3/20 | 0.47 |
| ▸ | PPARD | Q03181 | 2/20 | 0.47 |
| ▸ | ACACB | O00763 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5504301 | 0.88 | ACACB (0.41) | PPARGPPARAPPARDACACBCYP2C9 | |
| SCHEMBL3072202 | 0.80 | CYP2C9 (0.59) | PPARGPPARACYP2C9CYP1A2GAA | |
| SCHEMBL1378767 | 0.77 | MCL1 (0.42) | PPARGPPARAPPARDACACBNTRK1 | |
| SCHEMBL1377425 | 0.77 | PPARD (0.42) | PPARGPPARAPPARDACACBFFAR1 | |
| SCHEMBL11304140 | 0.76 | CYP2C9 (0.54) | PPARGPPARACYP2C9CYP1A2GAA | |
| SCHEMBL5489752 | 0.75 | PPARD (0.58) | PPARGPPARAPPARD | |
| SCHEMBL5496562 | 0.75 | PPARD (0.52) | PPARGPPARAPPARDCYP2C9CYP1A2 | |
| SCHEMBL5487844 | 0.75 | PPARD (0.53) | PPARGPPARAPPARDFFAR4 | |
| SCHEMBL25170018 | 0.74 | FFAR1 (0.50) | ACACBCYP2C9CYP1A2CYP2C19HDAC1 | |
| SCHEMBL16922731 | 0.74 | ACACB (0.42) | ACACBCYP2C9CYP1A2CYP2C19HDAC3 |
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-1765760-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006002802-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-12 | — | — | WO | disclosed |