Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 3/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 3/20 | 0.35 |
| ▸ | DRD3 | P35462 | 3/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL5226613 | 0.93 | SMO (0.40) | SMOALPLKDM4EALDH1A1LMNA | |
| SCHEMBL2761009 | 0.91 | SMO (0.43) | SMOMETALDH1A1LMNADRD4 | |
| SCHEMBL5224744 | 0.89 | HTR1A (0.38) | SMOALPLKDM4EALDH1A1LMNA | |
| SCHEMBL5226032 | 0.87 | SMO (0.39) | SMOMETALDH1A1LMNADRD4 | |
| SCHEMBL5229287 | 0.87 | EGFR (0.40) | SMOMETALPLKDM4EALDH1A1 | |
| SCHEMBL5226986 | 0.87 | DRD4 (0.39) | SMOALPLKDM4EALDH1A1LMNA | |
| SCHEMBL5222920 | 0.85 | ALDH1A1 (0.41) | KDM4EALDH1A1LMNA | |
| SCHEMBL5230509 | 0.84 | POLB (0.41) | SMOMETKDM4EALDH1A1DRD4 | |
| SCHEMBL5228457 | 0.84 | PIK3R1 (0.39) | SMOKDM1AMAOAMAOBMET | |
| SCHEMBL5228047 | 0.84 | HTR2C (0.37) | ALPLKDM4EALDH1A1DHODHDRD4 |
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 |