Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 4/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9478131 | 0.88 | PPARA (0.50) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL9475980 | 0.86 | ALDH1A1 (0.49) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL9475903 | 0.84 | PLK1 (0.46) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL9475925 | 0.84 | MAPT (0.43) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL9476200 | 0.84 | CES1 (0.42) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL9474748 | 0.83 | CES1 (0.38) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL9475755 | 0.81 | NPC1 (0.51) | PPARAALDH1A1POLBPIN1PPARG | |
| SCHEMBL27916287 | 0.79 | CES1 (0.56) | TSHRALDH1A1POLBPIN1CES1 | |
| SCHEMBL9475002 | 0.79 | PPARA (0.40) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL9475612 | 0.77 | TP53 (0.51) | TSHRMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5243066-A | ALKYL 2-ARYL-2,2-DIALKOXYACETATES, THE PREPARATION THEREOF AND A METHOD OF USING THEM FOR PREPARING ARYLGLYOXYLIC ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-07 | — | — | US | disclosed |