Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7756478 | 0.85 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2ALOX5PDE4DHSP90AA1 | |
| SCHEMBL7762855 | 0.81 | PDE4D (0.45) | ALDH1A1PDE4DADORA3SOAT1POLB | |
| SCHEMBL6631193 | 0.80 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2ALOX5PDE4DHSP90AA1 | |
| SCHEMBL9236366 | 0.68 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2ALOX5PDE4DSOAT1 | |
| SCHEMBL7756484 | 0.67 | ALOX5 (0.41) | ALDH1A1SMN1; SMN2ALOX5PDE4DSOAT1 | |
| SCHEMBL6630708 | 0.66 | ALOX5 (0.38) | ALDH1A1SMN1; SMN2ALOX5PDE4DSOAT1 | |
| SCHEMBL3954759 | 0.65 | HCAR2 (0.39) | ALDH1A1SMN1; SMN2ALPL | |
| SCHEMBL2875808 | 0.65 | PDE4D (0.44) | ALDH1A1SMN1; SMN2PDE4DHSP90AA1ALPL | |
| SCHEMBL1456845 | 0.64 | HSD17B10 (0.43) | ALDH1A1SMN1; SMN2PDE4DHSP90AA1TSHR | |
| SCHEMBL21585140 | 0.64 | PDE4D (0.50) | ALDH1A1SMN1; SMN2PDE4DHSP90AA1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1091940-A1 | METHOD FOR PREPARING 1-ALKYL-PYRAZOL-5-CARBOXYLIC ACID ESTERS | Bayer Aktiengesellschaft (DE) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001673-A2 | METHOD FOR PREPARING 1-ALKYL-PYRAZOL-5-CARBOXYLIC ACID ESTERS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-01-13 | — | — | WO | disclosed |