Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 10/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | UBE2T | Q9NPD8 | 1/20 | 0.43 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | MC5R | P33032 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3640747 | 0.77 | CASR (0.45) | CASRUBE2TASIC3ALDH1A1TDP1 | |
| SCHEMBL16871130 | 0.74 | CASR (0.46) | CASRALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL5720317 | 0.74 | CASR (0.51) | CASRIDO1UBE2TASIC3ALDH1A1 | |
| SCHEMBL15157817 | 0.72 | CASR (0.50) | CASRALDH1A1HPGDMEN1NPC1 | |
| SCHEMBL3907554 | 0.72 | CASR (0.53) | CASRIDO1UBE2TASIC3ALDH1A1 | |
| SCHEMBL227210 | 0.72 | CASR (0.58) | CASRIDO1ALDH1A1TDP1ADRA2A | |
| SCHEMBL1666355 | 0.72 | CASR (0.50) | CASRIDO1UBE2TASIC3ALDH1A1 | |
| SCHEMBL108180 | 0.72 | CASR (0.58) | CASRIDO1ALDH1A1TDP1ADRA2A | |
| SCHEMBL14859716 | 0.71 | CASR (0.50) | CASRIDO1UBE2TASIC3ALDH1A1 | |
| SCHEMBL28710154 | 0.71 | CASR (0.52) | CASRALDH1A1HPGDALOX15NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1325397-A | 2-piperazino alkylatnino benzoazole derivatives: dopamine receptor subtype sepcific ligands | NEUROGEN CORP (US) | 2001-12-05 | — | — | CN | claimed |