Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNG | P07510 | 1/20 | 0.39 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL14201137 | 0.91 | ALDH1A1 (0.39) | ALDH1A1NPC1GAAMAPTNPSR1 | |
| SCHEMBL14201127 | 0.86 | TAS1R3 (0.43) | ALDH1A1NPC1SLC6A2CYP2C19SLC6A4 | |
| SCHEMBL14201172 | 0.85 | SCN5A (0.40) | ALDH1A1NPC1GAAMAPTNPSR1 | |
| SCHEMBL14201152 | 0.85 | PTGS2 (0.36) | ALDH1A1SMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL14229752 | 0.84 | ALDH1A1 (0.39) | ALDH1A1NPC1GAAMAPTNPSR1 | |
| SCHEMBL14200448 | 0.81 | ALDH1A1 (0.43) | ALDH1A1NPC1GAAMAPTNPSR1 | |
| SCHEMBL14201155 | 0.81 | ALDH1A1 (0.40) | ALDH1A1NPC1GAAMAPTNPSR1 | |
| SCHEMBL14229563 | 0.81 | RIPK1 (0.52) | ALDH1A1NPC1GAAMAPTNPSR1 | |
| SCHEMBL14229114 | 0.79 | ALDH1A1 (0.43) | ALDH1A1NPC1GAAMAPTNPSR1 | |
| SCHEMBL14201174 | 0.79 | ALDH1A1 (0.45) | ALDH1A1NPC1GAAMAPTNPSR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7365093-B2 | Endothelin antagonists | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| US-7365093-B2 | Endothelin antagonists | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |