Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 3/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.38 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | CHKA | P35790 | 2/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.35 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 3/20 | 0.35 |
| ▸ | DRD3 | P35462 | 3/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5228457 | 0.90 | PIK3R1 (0.39) | SMOALDH1A1METCHKASSTR5 | |
| SCHEMBL2761009 | 0.90 | SMO (0.43) | SMOTNIKALDH1A1LMNAMET | |
| SCHEMBL5744201 | 0.89 | CHKA (0.41) | SMOTNIKALDH1A1LMNAGAA | |
| SCHEMBL5224673 | 0.87 | SMO (0.40) | SMOTNIKALDH1A1LMNAMET | |
| SCHEMBL2001547 | 0.87 | SMO (0.40) | SMOTNIKALDH1A1LMNAGAA | |
| SCHEMBL7261026 | 0.86 | SMO (0.41) | SMOS1PR1TNIKALDH1A1CHKA | |
| SCHEMBL2000028 | 0.86 | USP7 (0.39) | SMOTNIKALDH1A1LMNAGAA | |
| SCHEMBL1995720 | 0.85 | SMO (0.38) | SMOTNIKALDH1A1LMNAGAA | |
| SCHEMBL12569255 | 0.82 | SMO (0.39) | SMOALDH1A1LMNAGAASSTR5 | |
| SCHEMBL5224366 | 0.82 | SMO (0.44) | SMOS1PR1ALDH1A1LMNADRD4 |
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 |