Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.41 |
| ▸ | HNF4A | P41235 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | ANTXR2 | P58335 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 3/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
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 | 0.93 | SMN1; SMN2 (0.46) | CYP1A2SMN1; SMN2TP53BRCA1HNF4A | |
| SCHEMBL13425164 | 0.88 | CYP1A2 (0.41) | CYP1A2HIF1AALDH1A1AHRACHE | |
| SCHEMBL14144362 | 0.80 | SMN1; SMN2 (0.45) | CYP1A2SMN1; SMN2TP53BRCA1HNF4A | |
| SCHEMBL25141786 | 0.77 | SMN1; SMN2 (0.43) | CYP1A2SMN1; SMN2TP53BRCA1HNF4A | |
| SCHEMBL12570267 | 0.77 | SMN1; SMN2 (0.43) | CYP1A2SMN1; SMN2TP53BRCA1HNF4A | |
| SCHEMBL14144361 | 0.74 | CYP1A2 (0.40) | CYP1A2HIF1AMAPTALDH1A1AHR | |
| SCHEMBL14217624 | 0.73 | SMN1; SMN2 (0.50) | CYP1A2SMN1; SMN2TP53BRCA1HNF4A | |
| SCHEMBL13324252 | 0.72 | ANTXR2 (0.34) | CYP1A2ALDH1A1ANTXR2CYP2A6HPGD | |
| SCHEMBL2847420 | 0.72 | CYP1A2 (0.38) | CYP1A2SMN1; SMN2HIF1AALDH1A1LMNA | |
| SCHEMBL26634699 | 0.71 | CYP1A2 (0.47) | CYP1A2HNF4AHIF1AALDH1A1CYP2A6 |
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-4190769-A1 | APPLICATION OF POLYDENTATE PHOSPHITE LIGAND IN CATALYTIC SYNTHESIS OF ADIPONITRILE | Zhejiang University (CN) | 2023-06-07 | — | — | EP | disclosed |