Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 4/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL19145987 | 0.77 | CYP1A2 (0.48) | CYP1A2CNR2CNR1ALDH1A1CYP2A6 | |
| SCHEMBL28816574 | 0.73 | CYP1A2 (0.43) | CYP1A2CNR2CNR1ALDH1A1CYP2A6 | |
| SCHEMBL11054382 | 0.73 | TSHR (0.50) | CYP1A2MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL7823512 | 0.73 | CYP1A2 (0.52) | CYP1A2CNR2CNR1ALDH1A1CYP2A6 | |
| SCHEMBL27851962 | 0.72 | CYP1A2 (0.50) | CYP1A2CNR2CNR1ALDH1A1CYP2A6 | |
| SCHEMBL11054288 | 0.70 | CYP1A2 (0.48) | CYP1A2ALDH1A1CYP2A6LMNAKDM4E | |
| SCHEMBL7007166 | 0.69 | CYP1A2 (0.65) | CYP1A2MEN1KMT2AALDH1A1CYP2A6 | |
| SCHEMBL13389213 | 0.69 | LMNA (0.58) | MEN1KMT2AALDH1A1LMNAHSD17B10 | |
| SCHEMBL13020177 | 0.69 | LMNA (0.58) | MEN1KMT2AALDH1A1LMNAHSD17B10 | |
| SCHEMBL12061479 | 0.69 | CYP1A2 (0.56) | CYP1A2ALDH1A1CYP2A6LMNAKDM4E |
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 |