Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | PIM1 | P11309 | 2/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1882179 | 0.72 | GRIA1 (0.59) | CYP2A6MAPT | |
| SCHEMBL30488647 | 0.72 | CYP2A6 (0.58) | CYP2A6DYRK1ADYRK1BKDM4EGLA | |
| SCHEMBL2926370 | 0.70 | SMN1; SMN2 (0.35) | KDM4EGLAGAAATMALDH1A1 | |
| SCHEMBL3665537 | 0.70 | SMN1; SMN2 (0.35) | KDM4EGLAGAAATMALDH1A1 | |
| SCHEMBL2926372 | 0.65 | GRIA1 (0.36) | KDM4EGLAGAAALDH1A1HPGD | |
| SCHEMBL1891956 | 0.65 | GRIA1 (0.70) | KDM4EGLAGAAALDH1A1HPGD | |
| SCHEMBL3603590 | 0.65 | RAB9A (0.57) | CYP2A6KDM4EGAAALDH1A1HPGD | |
| [2,3'']Bipyridinyl SCHEMBL998601 | 0.64 | CYP2A6 (1.00) | CYP2A6PIM1KDM4EPIM2ALDH1A1 | |
| [2,3'']Bipyridinyl SCHEMBL29389597 | 0.64 | CYP2A6 (1.00) | CYP2A6PIM1KDM4EPIM2ALDH1A1 | |
| [2,3'']Bipyridinyl SCHEMBL29360744 | 0.64 | CYP2A6 (1.00) | CYP2A6PIM1KDM4EPIM2ALDH1A1 |
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-1871369-A2 | DIHYDROPYRIDINE COMPOUNDS AND COMPOSITIONS FOR HEADACHES | Eisai Co., Ltd. (JP) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006107860-A2 | DIHYDROPYRIDINE COMPOUNDS AND COMPOSITIONS FOR HEADACHES | EISAI CO., LTD. (JP) | 2006-10-12 | — | — | WO | disclosed |