Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.55 |
| ▸ | PLAU | P00749 | 4/20 | 0.42 |
| ▸ | PLG | P00747 | 2/20 | 0.42 |
| ▸ | SLC9A1 | P19634 | 4/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | F12 | P00748 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL6082267 | 0.82 | COMT (0.63) | COMTHRH4HTR2CNCOA3NPC1 | |
| Hydrochloric Acid SCHEMBL6081824 | 0.80 | COMT (0.60) | COMTPLAUHRH4HTR2CNCOA3 | |
| SCHEMBL6081364 | 0.80 | COMT (0.54) | COMTPLAUPLGHRH4HTR2C | |
| Hydrochloric Acid SCHEMBL6082398 | 0.79 | COMT (0.53) | COMTPLAUPLGHRH4HTR2C | |
| SCHEMBL8339628 | 0.78 | SLC9A1 (0.46) | PLAUSLC9A1SLC9A2HTR2BHTR7 | |
| SCHEMBL6082179 | 0.78 | COMT (0.57) | COMTHRH4HTR2CNCOA3NPC1 | |
| SCHEMBL8347760 | 0.75 | PLAU (0.44) | COMTPLAUPLGSLC9A1HRH4 | |
| SCHEMBL8338997 | 0.72 | HTR5A (0.41) | SLC9A1HTR2BHTR7 | |
| SCHEMBL8337393 | 0.71 | NCF1 (0.45) | SLC9A1MAPTNCF1 | |
| SCHEMBL8346321 | 0.69 | SLC9A1 (0.40) | COMTPLAUPLGSLC9A1HRH4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004007478-A2 | DERIVATIVES OF 3-GUANIDINOCARBONYL-1-HETEROARYL-PYRROLE, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2004-01-22 | — | — | WO | disclosed |