Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CDK4 | P11802 | 2/20 | 0.42 |
| ▸ | CCND1 | P24385 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MPI | P34949 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11076291 | 0.82 | HPRT1 (0.58) | HPRT1PTPN22CYP1A2ALDH1A1HPGD | |
| SCHEMBL4443136 | 0.79 | HPRT1 (0.54) | HPRT1PTPN22CYP1A2ALDH1A1HPGD | |
| SCHEMBL16558499 | 0.77 | MAPT (0.61) | HSD17B1HSD17B2CYP1A2CDK4CCND1 | |
| SCHEMBL27769273 | 0.76 | HPRT1 (0.52) | HPRT1PTPN22CYP1A2ALDH1A1HPGD | |
| SCHEMBL27869292 | 0.76 | HPRT1 (0.50) | HPRT1PTPN22CYP1A2ALDH1A1HPGD | |
| SCHEMBL27444109 | 0.76 | HPRT1 (0.50) | HPRT1PTPN22CYP1A2ALDH1A1HPGD | |
| Phenanthrene SCHEMBL8858255 | 0.74 | ALDH1A1 (0.71) | HPRT1HSD17B1HSD17B2PTPN22CYP1A2 | |
| SCHEMBL30849902 | 0.74 | CYP1A2 (0.67) | HPRT1PTPN22CYP1A2ALDH1A1HPGD | |
| SCHEMBL27955470 | 0.74 | HPRT1 (0.58) | HPRT1CYP1A2ALDH1A1HPGDKDM4E | |
| SCHEMBL8183465 | 0.74 | MEN1 (0.50) | HPRT1PTPN22CYP1A2CDK4CCND1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100448846-C | Method for catalytic hydrogenation of acyl pyridine to preparing substituted pyridine compound hydrochlorate | UNIV TSINGHUA (CN) | 2009-01-07 | — | — | CN | disclosed |
| CN-1995017-A | Method for catalytic hydrogenation of acyl pyridine to preparing substituted pyridine compound hydrochlorate | UNIV TSINGHUA (CN) | 2007-07-11 | — | — | CN | disclosed |
| CN-1030387-C | Preparation of 4-pyridinemethanol derivatives | DALIAN CHEMICAL PHYSICS INST (CN) | 1995-11-29 | — | — | CN | disclosed |
| CN-1046897-A | The preparation of 4-pyridine carbinol derivative | DALIAN CHEMICAL PHYSICS INST (CN) | 1990-11-14 | — | — | CN | disclosed |