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 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 6/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 6/20 | 0.34 |
| ▸ | CDK2 | P24941 | 6/20 | 0.34 |
| ▸ | SENP3 | Q9H4L4 | 2/20 | 0.34 |
| ▸ | SENP2 | Q9HC62 | 2/20 | 0.34 |
| ▸ | SENP1 | Q9P0U3 | 2/20 | 0.34 |
| ▸ | SUMO2 | P61956 | 1/20 | 0.34 |
| ▸ | SUMO1 | P63165 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | NT5E | P21589 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.34 |
| ▸ | CDK1 | P06493 | 3/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1835479 | 0.81 | NCF1 (0.41) | NCF1CCNE2CCNE1CDK2 | |
| Hydrochloric Acid SCHEMBL2247692 | 0.79 | NCF1 (0.39) | NCF1 | |
| Hydrochloric Acid SCHEMBL2596060 | 0.79 | NCF1 (0.39) | NCF1 | |
| SCHEMBL28415324 | 0.68 | TSHR (0.76) | TSHRSMN1; SMN2ALDH1A1NT5EHSD17B10 | |
| Hydrazine SCHEMBL11223582 | 0.66 | TSHR (0.89) | TSHRSMN1; SMN2ALDH1A1NT5EHSD17B10 | |
| Hydrochloric Acid SCHEMBL22164174 | 0.66 | TSHR (0.89) | TSHRSMN1; SMN2ALDH1A1NT5EHSD17B10 | |
| Hydrochloric Acid SCHEMBL27748505 | 0.66 | TSHR (0.89) | TSHRSMN1; SMN2ALDH1A1NT5EHSD17B10 | |
| Hydrazine SCHEMBL5026988 | 0.66 | TSHR (0.89) | TSHRSMN1; SMN2ALDH1A1NT5EHSD17B10 | |
| Hydroxyamine SCHEMBL9651752 | 0.66 | TSHR (0.89) | TSHRSMN1; SMN2ALDH1A1NT5EHSD17B10 | |
| SCHEMBL597672 | 0.66 | TSHR (1.00) | TSHRSMN1; SMN2ALDH1A1NT5EHSD17B10 |
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 |