Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.44 |
| ▸ | SMO | Q99835 | 3/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | DRD4 | P21917 | 4/20 | 0.36 |
| ▸ | DRD3 | P35462 | 4/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.36 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5223624 | 0.92 | SMO (0.41) | BRD4SMOPIK3CDMAPTDRD4 | |
| SCHEMBL5228017 | 0.89 | SMO (0.39) | BRD4SMOPIK3CDMAPTDRD4 | |
| SCHEMBL5225729 | 0.85 | F10 (0.38) | SMOPIK3CD | |
| SCHEMBL5228219 | 0.83 | SMO (0.47) | SMOMAPTDRD4DRD3DRD2 | |
| SCHEMBL5225124 | 0.81 | PIK3CD (0.42) | BRD4PIK3CDLMNACYP1A2ALDH1A1 | |
| SCHEMBL1997979 | 0.80 | SMO (0.60) | SMOMAPTDRD4DRD3DRD2 | |
| SCHEMBL5228124 | 0.79 | SMO (0.43) | SMOMAPTDRD4DRD3DRD2 | |
| SCHEMBL5227096 | 0.79 | SMO (0.44) | SMOMAPTDRD4DRD3DRD2 | |
| SCHEMBL5227160 | 0.79 | SMO (0.41) | SMOMAPTDRD4DRD3DRD2 | |
| SCHEMBL2761009 | 0.78 | SMO (0.43) | SMOMAPTDRD4DRD3DRD2 |
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 |