Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5226619 | 0.87 | NPBWR1 (0.47) | PTGS1PTGS2NPBWR1MCHR1TP53 | |
| SCHEMBL5224717 | 0.85 | NPBWR1 (0.45) | PTGS1PTGS2NPBWR1MCHR1TP53 | |
| SCHEMBL5224302 | 0.82 | SMO (0.49) | PTGS1PTGS2NPBWR1MCHR1TP53 | |
| SCHEMBL5232263 | 0.82 | SMO (0.49) | PTGS1PTGS2NPBWR1MCHR1TP53 | |
| SCHEMBL5225666 | 0.81 | NPBWR1 (0.43) | PTGS1PTGS2NPBWR1MCHR1TP53 | |
| SCHEMBL5230456 | 0.81 | SMO (0.46) | PTGS1PTGS2NPBWR1MCHR1TP53 | |
| SCHEMBL5230220 | 0.81 | NPBWR1 (0.40) | PTGS1PTGS2NPBWR1MCHR1TP53 | |
| SCHEMBL5230237 | 0.79 | MAPT (0.47) | PTGS1PTGS2NPBWR1MCHR1TP53 | |
| SCHEMBL5228505 | 0.79 | F10 (0.48) | — | |
| SCHEMBL5226484 | 0.78 | SMO (0.45) | PTGS1PTGS2NPBWR1MCHR1TP53 |
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 |