Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GPX4 | P36969 | 1/20 | 0.44 |
| ▸ | MLYCD | O95822 | 3/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14200330 | 0.88 | MLYCD (0.44) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL14200342 | 0.88 | NPC1 (0.47) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL14200236 | 0.88 | NPC1 (0.60) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL14200760 | 0.86 | NPC1 (0.46) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL14200336 | 0.85 | TRPM8 (0.45) | NPC1RAB9APAX8JAK2ALDH1A1 | |
| SCHEMBL21549479 | 0.85 | CNR2 (0.43) | ALDH1A1MLYCDCNR2 | |
| SCHEMBL14200376 | 0.85 | NPC1 (0.43) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL14200332 | 0.84 | ALDH1A1 (0.64) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL8755638 | 0.83 | NPC1 (0.67) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL14174746 | 0.83 | MLYCD (0.42) | TP53ALDH1A1MLYCDMEN1CYP3A4 |
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 3 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 |