Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26104326 | 0.77 | CYP2A6 (0.64) | CYP2A6CYP2B6CYP2E1GRM5CYP11B2 | |
| SCHEMBL23346571 | 0.76 | PDGFRB (0.50) | NPY5RMAP4K4PDGFRBPDGFRAGRM5 | |
| SCHEMBL26953398 | 0.76 | MAP4K4 (0.48) | NPY5RMAP4K4PDGFRBPDGFRAGRM5 | |
| SCHEMBL11161344 | 0.74 | ERCC1 (0.53) | NPY5RMAP4K4PDGFRBPDGFRAGRM5 | |
| SCHEMBL30279632 | 0.73 | AKT2 (0.50) | CYP2A6CYP2B6CYP2E1CYP11B2MAPT | |
| SCHEMBL14783574 | 0.73 | AKT2 (0.50) | CYP2A6CYP2B6CYP2E1CYP11B2MAPT | |
| SCHEMBL27422573 | 0.73 | CYP2A6 (0.40) | CYP2A6CYP2B6CYP2E1CYP11B2MAPT | |
| SCHEMBL10843366 | 0.72 | MAP4K4 (0.41) | MAP4K4PDGFRBPDGFRAGRM5DGAT1 | |
| SCHEMBL13575357 | 0.71 | AURKA (0.50) | MAP4K4PDGFRBPDGFRACYP2A6GRM5 | |
| SCHEMBL11169629 | 0.70 | TNKS2 (0.50) | MAP4K4CLK4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1871368-A2 | DIHYDROPYRIDINE COMPOUNDS FOR NEURODEGENERATIVE DISEASES AND DEMENTIA | Eisai Co., Ltd. (JP) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006107859-A2 | DIHYDROPYRIDINE COMPOUNDS FOR NEURODEGENERATIVE DISEASES AND DEMENTIA | EISAI CO., LTD. (JP) | 2006-10-12 | — | — | WO | disclosed |