Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.32 |
| ▸ | GPX4 | P36969 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14200854 | 0.93 | L3MBTL1 (0.34) | ALDH1A1TP53L3MBTL1POLBAPEX1 | |
| SCHEMBL14228977 | 0.86 | TP53 (0.40) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL14201106 | 0.80 | L3MBTL1 (0.31) | L3MBTL1 | |
| SCHEMBL14201020 | 0.78 | MLYCD (0.30) | L3MBTL1 | |
| SCHEMBL14229233 | 0.78 | TP53 (0.38) | ALDH1A1TP53RAB9ATSHRPOLB | |
| SCHEMBL14200979 | 0.78 | NPC1 (0.41) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL14200883 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL14200856 | 0.77 | L3MBTL1 (0.32) | L3MBTL1 | |
| SCHEMBL14201009 | 0.77 | L3MBTL1 (0.33) | ALDH1A1L3MBTL1HTTPOLBAPEX1 | |
| SCHEMBL14200533 | 0.77 | ALDH1A1 (0.43) | ALDH1A1TP53NPC1RAB9APAX8 |
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 |