Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | PI4KA | P42356 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.37 |
| ▸ | PI4K2A | Q9BTU6 | 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 | |
|---|---|---|---|---|
| SCHEMBL29487195 | 0.81 | XDH (0.53) | TSHRSMN1; SMN2CDK2MAPK1NUDT1 | |
| SCHEMBL1835481 | 0.81 | XDH (0.53) | TSHRSMN1; SMN2CDK2MAPK1NUDT1 | |
| Hydrochloric Acid SCHEMBL2247697 | 0.79 | XDH (0.52) | TSHRSMN1; SMN2CDK2MAPK1NUDT1 | |
| Hydrochloric Acid SCHEMBL2596063 | 0.79 | XDH (0.52) | TSHRSMN1; SMN2CDK2MAPK1NUDT1 | |
| SCHEMBL3934401 | 0.76 | TSHR (0.43) | TSHRSMN1; SMN2NAPRTCCNE2CCNE1 | |
| SCHEMBL28415324 | 0.68 | TSHR (0.76) | TSHRSMN1; SMN2NAPRTLMNAMAPT | |
| Diaminopyrimidine SCHEMBL2745437 | 0.66 | TSHR (0.53) | TSHRSMN1; SMN2NAPRTLMNAMAPT | |
| Hydrazine SCHEMBL5026988 | 0.66 | TSHR (0.89) | TSHRSMN1; SMN2NAPRTMAPK1LMNA | |
| Hydrazine SCHEMBL11223582 | 0.66 | TSHR (0.89) | TSHRSMN1; SMN2NAPRTMAPK1LMNA | |
| Hydrochloric Acid SCHEMBL22164174 | 0.66 | TSHR (0.89) | TSHRSMN1; SMN2NAPRTLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046787-A1 | PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS | Glaxo Group Limited (GB) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008015416-A1 | PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2008-02-07 | — | — | WO | disclosed |
| WO-2008015437-A1 | PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2008-02-07 | — | — | WO | disclosed |