Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.50 |
| ▸ | HNF4A | P41235 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 3/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13425165 | 0.79 | SMN1; SMN2 (0.46) | SMN1; SMN2TP53CYP1A2BRCA1HNF4A | |
| SCHEMBL14144362 | 0.78 | SMN1; SMN2 (0.45) | SMN1; SMN2TP53CYP1A2BRCA1HNF4A | |
| SCHEMBL11954814 | 0.77 | CYP1A2 (0.42) | CYP1A2HIF1AMAPTALDH1A1AHR | |
| SCHEMBL25141786 | 0.75 | SMN1; SMN2 (0.43) | SMN1; SMN2TP53CYP1A2BRCA1HNF4A | |
| SCHEMBL12570267 | 0.75 | SMN1; SMN2 (0.43) | SMN1; SMN2TP53CYP1A2BRCA1HNF4A | |
| SCHEMBL25671996 | 0.73 | CYP1A2 (0.41) | SMN1; SMN2TP53CYP1A2BRCA1HNF4A | |
| SCHEMBL20682620 | 0.72 | ALDH1A1 (0.43) | TP53CYP1A2HIF1AMAPTALDH1A1 | |
| SCHEMBL22127129 | 0.72 | TP53 (0.46) | SMN1; SMN2TP53CYP1A2BRCA1HNF4A | |
| SCHEMBL25622471 | 0.70 | MAPT (0.53) | SMN1; SMN2TP53CYP1A2BRCA1HNF4A | |
| SCHEMBL1128095 | 0.70 | NQO1 (0.56) | SMN1; SMN2TP53CYP1A2BRCA1HNF4A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1506148-B1 | PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED COMPOUNDS | DSM IP ASSETS BV (NL) | 2008-05-28 | — | — | EP | disclosed |