Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH5 | P11766 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | QPCT | Q16769 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12841361 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP2C9QPCTL3MBTL1KDM4E | |
| SCHEMBL28106810 | 0.75 | CYP1A2 (0.56) | ADH5CYP1A2CYP2C9QPCTMAPT | |
| SCHEMBL10053600 | 0.73 | L3MBTL1 (0.49) | CYP1A2CYP2C9L3MBTL1KDM4EALDH1A1 | |
| SCHEMBL7314884 | 0.73 | KDM4E (0.50) | CYP1A2CYP2C9L3MBTL1KDM4EALDH1A1 | |
| SCHEMBL28002115 | 0.72 | CYP1A2 (0.64) | ADH5CYP1A2CYP2C9QPCTMAPT | |
| SCHEMBL3344599 | 0.71 | KMT2A (0.51) | CYP1A2CYP2C9QPCTL3MBTL1KDM4E | |
| SCHEMBL6518759 | 0.71 | CYP2C9 (0.58) | CYP1A2CYP2C9QPCTL3MBTL1KDM4E | |
| SCHEMBL10053481 | 0.69 | PKM (0.48) | CYP1A2CYP2C9L3MBTL1ALDH1A1MAPT | |
| SCHEMBL17630180 | 0.69 | ADH5 (0.64) | ADH5CYP1A2HSD17B10KMT2APDE3B | |
| SCHEMBL17630071 | 0.68 | ADH5 (1.00) | ADH5ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-105622529-A | 4-(4-nitrophenyl)-4H-1,2,4-triazole dimeric silver complex single-crystal and application | UNIV TIANJIN | 2016-06-01 | — | — | CN | disclosed |