Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.34 |
| ▸ | GCLC | P48506 | 1/20 | 0.32 |
| ▸ | LAP3 | P28838 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.31 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL263667 | 0.83 | LAP3 (0.42) | TSHRUSP2GCLCLAP3CYP2D6 | |
| Methyl Alcohol SCHEMBL28029809 | 0.74 | BTN3A1 (0.48) | BTN3A1LPAR3LPAR2LMNABLM | |
| SCHEMBL3718509 | 0.74 | — | — | |
| Isopropyl Alcohol SCHEMBL28593777 | 0.73 | BTN3A1 (0.43) | BTN3A1LAP3LPAR3LPAR2TDP1 | |
| Methane SCHEMBL28455124 | 0.72 | — | — | |
| SCHEMBL2991836 | 0.71 | FOLH1 (0.39) | TSHRUSP2GCLCLAP3LPAR3 | |
| Formaldehyde SCHEMBL8386730 | 0.70 | TYMS (0.43) | BTN3A1LPAR3LPAR2LMNABLM | |
| SCHEMBL2990606 | 0.68 | LPAR3 (0.45) | LPAR3LPAR2LMNABLMTDP1 | |
| SCHEMBL2994534 | 0.67 | FDPS (0.50) | TSHRLAP3GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7196403 | 0.67 | PPARD (0.39) | TSHRBTN3A1CYP2D6CYP2C9CYP2C19 |
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 |