Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 2/20 | 0.39 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.39 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.31 |
| ▸ | FNTB | P49356 | 1/20 | 0.31 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL246813 | 0.80 | TSHR (0.52) | PPARDTSHRMAPT | |
| SCHEMBL2382808 | 0.74 | PPARD (0.54) | PPARDAOX1BTN3A1TSHRCYP2C9 | |
| Methyl Alcohol SCHEMBL28029809 | 0.72 | BTN3A1 (0.48) | BTN3A1 | |
| SCHEMBL3718509 | 0.72 | — | — | |
| Methane SCHEMBL28455124 | 0.70 | — | — | |
| SCHEMBL28593773 | 0.70 | AOX1 (0.46) | PPARDAOX1BTN3A1TSHR | |
| SCHEMBL8351172 | 0.68 | PPARD (0.62) | PPARDTSHR | |
| SCHEMBL8643733 | 0.68 | TSHR (0.57) | PPARDTSHRMAPT | |
| Formaldehyde SCHEMBL8386730 | 0.68 | TYMS (0.43) | BTN3A1 | |
| SCHEMBL2382263 | 0.67 | PPARD (0.50) | PPARDAOX1TSHRMAPT |
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-6589766-B1 | Use to catalyze ketone-ketone, ketone-aldehyde, aldehyde-ketone, and aldehyde-aldehyde intermolecular aldol reactions, and in some cases to catalyze their subsequent dehydration to yield aldol condensation products | THE SCRIPPS RESEARCH INSTITUTE | 2003-07-08 | — | — | US | disclosed |