Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | PLA2G4B | P0C869 | 8/20 | 0.50 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.49 |
| ▸ | RARB | P10826 | 3/20 | 0.48 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9478506 | 0.89 | TP53 (0.51) | TP53TSHRPLA2G4BNR5A1RARB | |
| SCHEMBL9475612 | 0.89 | TP53 (0.51) | TP53TSHRPLA2G4BNR5A1RARB | |
| SCHEMBL9474656 | 0.87 | TP53 (0.49) | TP53TSHRPLA2G4BNR5A1RARB | |
| SCHEMBL9477232 | 0.86 | PLK1 (0.46) | TSHR | |
| SCHEMBL9476928 | 0.80 | ALDH1A1 (0.48) | TSHRMAPK1 | |
| SCHEMBL12000272 | 0.79 | MAPK1 (0.50) | TP53TSHRPLA2G4BMAPK1SMN1; SMN2 | |
| SCHEMBL9475762 | 0.78 | TP53 (0.54) | TP53TSHRPLA2G4BNR5A1RARB | |
| SCHEMBL9475651 | 0.76 | NPC1 (0.51) | TSHRMAPK1SMN1; SMN2 | |
| SCHEMBL8503479 | 0.76 | MAPT (0.49) | TP53TSHRPLA2G4BNR5A1RARB | |
| SCHEMBL8503494 | 0.76 | MAPT (0.49) | TP53TSHRPLA2G4BNR5A1RARB |
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 |