Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.49 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.49 |
| ▸ | PRNP | P04156 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | NCF1 | P14598 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21848469 | 0.86 | BACE1 (0.54) | BACE1CYP1A2NPFFR1NPFFR2PRNP | |
| SCHEMBL2600753 | 0.85 | CYP1A2 (0.60) | BACE1CYP1A2NPFFR1NPFFR2PRNP | |
| SCHEMBL30196588 | 0.82 | CYP1A2 (0.56) | BACE1CYP1A2NPFFR1NPFFR2PRNP | |
| SCHEMBL2538873 | 0.82 | CYP1A2 (0.56) | BACE1CYP1A2NPFFR1NPFFR2PRNP | |
| SCHEMBL17673275 | 0.80 | CYP1A2 (0.58) | BACE1CYP1A2NPFFR1NPFFR2PRNP | |
| SCHEMBL17247288 | 0.79 | CYP1A2 (0.53) | BACE1CYP1A2NPFFR1NPFFR2PRNP | |
| SCHEMBL25523507 | 0.79 | CYP1A2 (0.53) | BACE1CYP1A2NPFFR1NPFFR2PRNP | |
| SCHEMBL21848466 | 0.79 | BACE1 (0.50) | BACE1CYP1A2NPFFR1NPFFR2PRNP | |
| SCHEMBL18463865 | 0.77 | CYP1A2 (0.55) | BACE1CYP1A2NPFFR1NPFFR2PRNP | |
| SCHEMBL18289960 | 0.77 | L3MBTL1 (0.46) | BACE1CYP1A2KDM4EL3MBTL1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020063399-A1 | METHOD FOR LIGHT-INDUCED DECARBOXYLATION COUPLING OF ACTIVE CARBOXYLIC ACID ESTER UNDER NON-METAL CATALYSIS | 中国科学技术大学 | 2020-04-02 | — | — | WO | disclosed |