Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.38 |
| ▸ | PSMD10 | O75832 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | VDR | P11473 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL7277568 | 0.86 | CYP24A1 (0.40) | CYP24A1PSMD10CYP3A4CYP2C19KEAP1 | |
| SCHEMBL13670636 | 0.85 | CYP24A1 (0.39) | CYP24A1PSMD10CYP3A4CYP2C19KEAP1 | |
| SCHEMBL3290837 | 0.83 | CYP24A1 (0.40) | CYP24A1PSMD10CYP3A4CYP2C19KEAP1 | |
| SCHEMBL4951192 | 0.81 | CYP3A4 (0.38) | CYP24A1CYP3A4CYP2C19KEAP1NFE2L2 | |
| SCHEMBL18290138 | 0.80 | CYP3A4 (0.33) | CYP24A1CYP3A4CYP2C19KEAP1NFE2L2 | |
| SCHEMBL3409599 | 0.78 | CYP3A4 (0.36) | CYP24A1CYP3A4CYP2C19KEAP1NFE2L2 | |
| SCHEMBL3021239 | 0.78 | CYP3A4 (0.36) | CYP24A1CYP3A4CYP2C19KEAP1NFE2L2 | |
| SCHEMBL3102392 | 0.76 | PSMD10 (0.39) | CYP24A1PSMD10CYP3A4CYP2C19STAT3 | |
| SCHEMBL13250784 | 0.76 | KEAP1 (0.36) | CYP24A1CYP3A4CYP2C19KEAP1NFE2L2 | |
| SCHEMBL28912198 | 0.76 | ALDH1A1 (0.41) | CYP24A1PSMD10CYP3A4CYP2C19STAT3 |
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-1853260-A1 | SUBSTITUTED PYRAZOLES AS MODULATORS OF CHEMOKINE RECEPTORS | Merck & Co., Inc. (US) | 2007-11-14 | — | — | EP | disclosed |
| WO-2006088813-A1 | SUBSTITUTED PYRAZOLES AS MODULATORS OF CHEMOKINE RECEPTORS | MERCK & CO., INC. (US) | 2006-08-24 | — | — | WO | disclosed |