Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL28816096 | 0.81 | CYP1A2 (0.52) | CYP1A2CYP2A6ALDH1A1HSD17B10HPGD | |
| SCHEMBL11208225 | 0.79 | CYP1A2 (0.59) | CYP1A2CYP2A6ALDH1A1HSD17B10HPGD | |
| SCHEMBL28799309 | 0.79 | ALDH1A1 (0.41) | CYP1A2ALDH1A1HSD17B10HPGDKDM4E | |
| SCHEMBL1161428 | 0.77 | CYP2A6 (0.57) | CYP1A2CYP2A6ALDH1A1HPGDKDM4E | |
| SCHEMBL27995615 | 0.76 | KDM4E (0.38) | CYP1A2CYP2A6ALDH1A1HPGDKDM4E | |
| SCHEMBL2499216 | 0.75 | CYP1A2 (0.50) | CYP1A2CYP2A6ALDH1A1HSD17B10HPGD | |
| SCHEMBL7654734 | 0.74 | CYP1A2 (0.53) | CYP1A2CYP2A6ALDH1A1HSD17B10HPGD | |
| SCHEMBL15914806 | 0.73 | CYP1A2 (0.52) | CYP1A2CYP2A6ALDH1A1HSD17B10HPGD | |
| SCHEMBL17599016 | 0.72 | CYP1A2 (0.52) | CYP1A2CYP2A6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL27977447 | 0.71 | CYP1A2 (0.50) | CYP1A2CYP2A6ALDH1A1HSD17B10HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108699003-A | Prepare the catalytic hydrogenation of pyrazoles | 巴斯夫欧洲公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-107827783-A | Method for continuously preparing sulfonated product of benzene series by using micro-reaction device | 南京工业大学 | 2018-03-23 | — | — | CN | disclosed |
| CN-104303317-A | Etching solution and method for producing silicon substrate using same | WAKO PURE CHEM IND LTD | 2015-01-21 | — | — | CN | disclosed |