Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14200374 | 0.85 | TRPV1 (0.44) | TP53TRPV1NPC1JAK2RAB9A | |
| SCHEMBL14543587 | 0.82 | TP53 (0.58) | TP53NPC1JAK2RAB9APAX8 | |
| SCHEMBL3772286 | 0.82 | TP53 (0.83) | TP53NPC1JAK2RAB9APAX8 | |
| SCHEMBL17596762 | 0.80 | TP53 (0.47) | TP53TRPV1HTTCYP3A4CYP2C9 | |
| SCHEMBL2435091 | 0.79 | NOTUM (0.56) | TP53TRPV1HTTCYP3A4CYP2C9 | |
| SCHEMBL18440613 | 0.78 | TRPV1 (0.50) | TRPV1HTTCYP3A4CYP2C9CYP2B6 | |
| SCHEMBL14229916 | 0.77 | TP53 (0.81) | TP53NPC1JAK2RAB9APAX8 | |
| SCHEMBL14229367 | 0.76 | TP53 (0.78) | TP53NPC1JAK2RAB9APAX8 | |
| SCHEMBL5818143 | 0.76 | NPC1 (0.54) | TP53TRPV1NPC1JAK2RAB9A | |
| SCHEMBL23746263 | 0.76 | S1PR1 (0.53) | NPC1RAB9AS1PR1CYP3A4CYP2C19 |
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 |