Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GPX4 | P36969 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.38 |
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 | 0.90 | TAS1R3 (0.42) | TAS1R3TAS1R1ALDH1A1RAB9ANPC1 | |
| SCHEMBL14230180 | 0.86 | TAS1R3 (0.44) | TAS1R3TAS1R1ALDH1A1RAB9ANPC1 | |
| SCHEMBL14201165 | 0.85 | ALDH1A1 (0.36) | TAS1R3TAS1R1ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL14201155 | 0.85 | ALDH1A1 (0.40) | TAS1R3TAS1R1ALDH1A1RAB9ANPC1 | |
| SCHEMBL14201129 | 0.84 | ALDH1A1 (0.44) | TAS1R3TAS1R1ALDH1A1RAB9ANPC1 | |
| SCHEMBL14200479 | 0.81 | TAS1R3 (0.44) | TAS1R3TAS1R1ALDH1A1RAB9ANPC1 | |
| SCHEMBL14201127 | 0.80 | TAS1R3 (0.43) | TAS1R3TAS1R1ALDH1A1RAB9ANPC1 | |
| SCHEMBL14201185 | 0.79 | RIPK1 (0.33) | TAS1R3TAS1R1CYP2C19SMN1; SMN2 | |
| SCHEMBL14229531 | 0.79 | TAS1R3 (0.47) | TAS1R3TAS1R1ALDH1A1RAB9ANPC1 | |
| SCHEMBL14230191 | 0.77 | TAS1R3 (0.45) | TAS1R3TAS1R1ALDH1A1RAB9ANPC1 |
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 |