Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 2/20 | 0.49 |
| ▸ | CHKA | P35790 | 1/20 | 0.44 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5224302 | 0.92 | SMO (0.49) | SMONPBWR1MCHR1PTGS1PTGS2 | |
| SCHEMBL5230456 | 0.89 | SMO (0.46) | SMONPBWR1MCHR1PTGS1PTGS2 | |
| SCHEMBL2761009 | 0.88 | SMO (0.43) | SMOCHKAPTGS1TP53MAPT | |
| SCHEMBL5226484 | 0.87 | SMO (0.45) | SMONPBWR1MCHR1PTGS1PTGS2 | |
| SCHEMBL5228505 | 0.84 | F10 (0.48) | — | |
| SCHEMBL5224673 | 0.84 | SMO (0.40) | SMOKDM4EALDH1A1LMNA | |
| SCHEMBL5222920 | 0.84 | ALDH1A1 (0.41) | KDM4ETP53MAPTALDH1A1LMNA | |
| SCHEMBL5230509 | 0.83 | POLB (0.41) | SMOKDM4ETP53ALDH1A1TSHR | |
| SCHEMBL5228457 | 0.83 | PIK3R1 (0.39) | SMOCHKAMAPTALDH1A1 | |
| SCHEMBL5228410 | 0.82 | PTGS1 (0.49) | NPBWR1MCHR1PTGS1PTGS2KDM4E |
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 |