Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GPX4 | P36969 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14229488 | 0.92 | MLYCD (0.43) | MLYCD | |
| SCHEMBL14229005 | 0.87 | MLYCD (0.48) | MLYCDALDH1A1NPC1TP53GPX4 | |
| SCHEMBL14201189 | 0.85 | MLYCD (0.46) | MLYCDALDH1A1NPC1TP53GPX4 | |
| SCHEMBL14230195 | 0.81 | POLB (0.34) | MLYCDALDH1A1 | |
| SCHEMBL14229061 | 0.80 | TP53 (0.48) | MLYCDALDH1A1NPC1TP53GPX4 | |
| SCHEMBL14230196 | 0.80 | CYP1A2 (0.34) | — | |
| SCHEMBL14229324 | 0.80 | ALDH1A1 (0.38) | MLYCDALDH1A1NPC1TP53GPX4 | |
| SCHEMBL14229079 | 0.79 | POLB (0.33) | MLYCD | |
| SCHEMBL14229492 | 0.79 | ALDH1A1 (0.57) | MLYCDALDH1A1NPC1TP53GPX4 | |
| SCHEMBL14229485 | 0.78 | ALDH1A1 (0.47) | MLYCDALDH1A1NPC1TP53GPX4 |
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 2 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-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |