Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HSPB1 | P04792 | 2/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.33 |
| ▸ | DYRK3 | O43781 | 3/20 | 0.33 |
| ▸ | DYRK2 | Q92630 | 3/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL1202690 | 0.89 | HTT (0.41) | CYP1A2CYP2C9HSPB1KDM4EALDH1A1 | |
| SCHEMBL22834815 | 0.88 | CYP1A2 (0.47) | CYP1A2CYP2C9DYRK1ADYRK3DYRK2 | |
| SCHEMBL11734584 | 0.83 | CYP1A2 (0.43) | CYP1A2CYP2C9ALDH1A1LMNATHRB | |
| SCHEMBL7983668 | 0.82 | CYP1A2 (0.39) | CYP1A2CYP2C9 | |
| SCHEMBL9229906 | 0.79 | MMP2 (0.37) | CYP1A2CYP2C9KDM4EALDH1A1GAA | |
| SCHEMBL2902233 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2C9KDM4EALDH1A1GAA | |
| SCHEMBL7984001 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2C9KDM4EALDH1A1GAA | |
| SCHEMBL430605 | 0.79 | TNF (0.50) | CYP1A2CYP2C9DYRK1ADYRK3DYRK2 | |
| SCHEMBL31668867 | 0.78 | CYP1A2 (0.43) | CYP1A2CYP2C9KDM4EGAA | |
| SCHEMBL1203261 | 0.74 | FYN (0.52) | DYRK1AKDM4EALDH1A1 |
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-2001034578-A1 | COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY | ASTRAZENECA AB (SE) | 2001-05-17 | — | — | WO | claimed |