Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.32 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CFTR | P13569 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9058568 | 0.82 | ALDH1A1 (0.39) | CYP1A2CYP2C9ALDH1A1GLAHPGD | |
| SCHEMBL9058865 | 0.81 | CYP1A2 (0.33) | CYP1A2CYP2C9DYRK3CCNT1CCNA2 | |
| SCHEMBL9058728 | 0.72 | GSTP1 (0.42) | CYP1A2CYP2C9ALDH1A1GLASMN1; SMN2 | |
| SCHEMBL9058715 | 0.72 | MKNK1 (0.39) | CYP1A2CYP2C9DYRK3CCNT1CCNA2 | |
| SCHEMBL9058809 | 0.72 | MKNK1 (0.39) | CYP1A2CYP2C9DYRK3CCNT1CCNA2 | |
| SCHEMBL9058877 | 0.72 | CYP1A2 (0.33) | CYP1A2CYP2C9ALDH1A1HPGDDYRK3 | |
| SCHEMBL9058717 | 0.71 | DYRK3 (0.33) | CYP1A2CYP2C9ALDH1A1DYRK3CCNT1 | |
| SCHEMBL9058881 | 0.70 | KDM4E (0.46) | CYP1A2CYP2C9ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL8089315 | 0.69 | CYP1A2 (0.37) | CYP1A2CYP2C9ALDH1A1DYRK3CCNT1 | |
| SCHEMBL9058562 | 0.69 | ALDH1A1 (0.46) | CYP1A2CYP2C9ALDH1A1SMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996016656-A1 | CONDENSED IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-06-06 | — | — | WO | disclosed |