Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 5/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4998169 | 0.83 | MAPT (0.47) | SRD5A1SRD5A2PDK2MAPTCA1 | |
| SCHEMBL21333830 | 0.83 | SRD5A2 (0.53) | SRD5A1SRD5A2PDK2HPGDPTPRC | |
| SCHEMBL21551956 | 0.79 | MAPT (0.39) | GSK3BSRD5A1SRD5A2PDK2MAPT | |
| SCHEMBL14691381 | 0.79 | GSK3B (0.51) | GSK3BSRD5A1SRD5A2PDK2ALDH1A1 | |
| SCHEMBL29403081 | 0.78 | PDK2 (0.44) | PDK2CA1CA2BCL2MCL1 | |
| SCHEMBL29587737 | 0.78 | PDK2 (0.44) | PDK2CA1CA2BCL2MCL1 | |
| SCHEMBL204806 | 0.78 | PDK2 (0.44) | PDK2CA1CA2BCL2MCL1 | |
| SCHEMBL21551963 | 0.77 | HSD17B3 (0.42) | MAPTALDH1A1NPC1HTTHPGD | |
| SCHEMBL25199664 | 0.75 | CA12 (0.48) | PDK2MAPTCA1CA2CA7 | |
| SCHEMBL14690867 | 0.75 | SRD5A2 (0.55) | GSK3BSRD5A1SRD5A2MAPTBCL2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013021344-A1 | IMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS | LUPIN LIMITED (IN) | 2013-02-14 | — | — | WO | disclosed |
| WO-2013021344-A1 | IMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS | LUPIN LIMITED (IN) | 2013-02-14 | — | — | WO | disclosed |