Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | GPX4 | P36969 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14201173 | 0.91 | TAS1R3 (0.42) | ALDH1A1RAB9AGPX4NPC1PAX8 | |
| SCHEMBL14229431 | 0.88 | ALDH1A1 (0.44) | ALDH1A1RAB9AGPX4NPC1PAX8 | |
| SCHEMBL14201503 | 0.87 | MAPK1 (0.35) | ALDH1A1SMN1; SMN2PRSS1CTSGCTRB1 | |
| SCHEMBL14201145 | 0.87 | SCN5A (0.40) | ALDH1A1NPC1CYP2C19SMN1; SMN2HPGD | |
| SCHEMBL14201154 | 0.84 | TAS1R3 (0.44) | ALDH1A1RAB9AGPX4NPC1PAX8 | |
| SCHEMBL14201118 | 0.83 | ALDH1A1 (0.44) | ALDH1A1RAB9AGPX4NPC1PAX8 | |
| SCHEMBL14200481 | 0.83 | ALDH1A1 (0.46) | ALDH1A1RAB9AGPX4NPC1PAX8 | |
| SCHEMBL14229132 | 0.81 | ALDH1A1 (0.49) | ALDH1A1RAB9AGPX4NPC1PAX8 | |
| SCHEMBL14201151 | 0.81 | POLB (0.32) | — | |
| SCHEMBL14543474 | 0.81 | ALDH1A1 (0.45) | ALDH1A1RAB9AGPX4NPC1PAX8 |
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 |