Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 7/20 | 0.41 |
| ▸ | CDK9 | P50750 | 7/20 | 0.41 |
| ▸ | CDK2 | P24941 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | CLK3 | P49761 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28090879 | 1.00 | IDO1 (0.43) | IDO1TDO2CCNT1CDK9CDK2 | |
| SCHEMBL28090877 | 0.82 | MAN2A1 (0.40) | EGFRMAN2A1MAN1B1 | |
| SCHEMBL431572 | 0.77 | HPGD (0.49) | IDO1TDO2CDK2LMNAHPGD | |
| SCHEMBL431571 | 0.70 | NPBWR1 (0.54) | CCNT1CDK9LMNAHPGDSMN1; SMN2 | |
| SCHEMBL21410829 | 0.70 | JAK3 (0.44) | IDO1TDO2LMNARIPK1JAK3 | |
| SCHEMBL20095129 | 0.70 | MAPKAPK2 (0.54) | IDO1TDO2CDK2LMNARIPK1 | |
| SCHEMBL27783713 | 0.70 | MAPKAPK2 (0.54) | IDO1TDO2CDK2LMNARIPK1 | |
| SCHEMBL430689 | 0.70 | MAPKAPK2 (0.54) | IDO1TDO2CDK2LMNARIPK1 | |
| SCHEMBL1964723 | 0.68 | ALDH1A1 (0.55) | CDK2RIPK1CYP2C9CYP2C19GSK3B | |
| SCHEMBL4110424 | 0.68 | ALDH1A1 (0.55) | CDK2RIPK1CYP2C9CYP2C19GSK3B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103848833-B | Pyrrolo-triazine analog derivative, its preparation method and in application pharmaceutically | 上海希迈医药科技有限公司 | 2016-08-31 | — | — | CN | disclosed |