Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | SMO | Q99835 | 1/20 | 0.34 |
| ▸ | CCR3 | P51677 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5228002 | 0.85 | TSHR (0.39) | PTGS1SMOPOLBALDH1A1TP53 | |
| SCHEMBL5222786 | 0.85 | GRM2 (0.38) | CYP2D6PTGS1SMOCXCR3KDM1A | |
| SCHEMBL5228047 | 0.81 | HTR2C (0.37) | CXCR3ALDH1A1DRD2DRD4 | |
| SCHEMBL2761237 | 0.81 | SMO (0.43) | PTGS1SMOMAPTALDH1A1TP53 | |
| SCHEMBL2761009 | 0.81 | SMO (0.43) | PTGS1SMOMAPTALDH1A1TP53 | |
| SCHEMBL2761177 | 0.81 | DRD4 (0.42) | PTGS1SMOPOLBMAPTALDH1A1 | |
| SCHEMBL5225031 | 0.81 | SSTR5 (0.36) | CYP2D6SMO | |
| SCHEMBL2001019 | 0.81 | CXCR3 (0.36) | CXCR3 | |
| SCHEMBL2000116 | 0.81 | F10 (0.38) | NR3C1PDCD1CD274 | |
| Hydrochloric Acid SCHEMBL1997589 | 0.80 | SMO (0.42) | PTGS1SMOMAPTALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |