Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CNR2 | P34972 | 4/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11054382 | 0.83 | TSHR (0.50) | CYP1A2TSHRSMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL27851962 | 0.82 | CYP1A2 (0.50) | CYP1A2CNR2CNR1CYP2A6SMN1; SMN2 | |
| SCHEMBL19145987 | 0.81 | CYP1A2 (0.48) | CYP1A2CNR2CNR1CYP2A6SMN1; SMN2 | |
| SCHEMBL11054288 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2A6LMNAKDM4EALDH1A1 | |
| SCHEMBL27998908 | 0.73 | CYP1A2 (0.43) | CYP1A2CNR2CNR1CYP2A6SMN1; SMN2 | |
| SCHEMBL7823512 | 0.73 | CYP1A2 (0.52) | CYP1A2CNR2CNR1TSHRCYP2A6 | |
| SCHEMBL12061479 | 0.72 | CYP1A2 (0.56) | CYP1A2TSHRCYP2A6SMN1; SMN2LMNA | |
| SCHEMBL7833173 | 0.72 | CYP1A2 (0.62) | CYP1A2CNR2TSHRCYP2A6SMN1; SMN2 | |
| SCHEMBL2927107 | 0.70 | GLS (0.46) | KDM4E | |
| SCHEMBL17491866 | 0.70 | PTGS2 (0.50) | SMN1; SMN2LMNAKDM4EALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104370715-B | A kind of synthetic method of alpha-aromatic ketone compound | DALIAN UNIVERSITY OF TECHNOLOGY (CN) | 2015-10-28 | — | — | CN | disclosed |
| CN-104370715-A | Synthesis method of alpha-aryl ketone compound | UNIV DALIAN TECH | 2015-02-25 | — | — | CN | disclosed |