Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GPX4 | P36969 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL14200883 | 0.86 | ALDH1A1 (0.41) | ALDH1A1NPC1RAB9APAX8TP53 | |
| SCHEMBL14200534 | 0.86 | MLYCD (0.40) | ALDH1A1NPC1RAB9APAX8TP53 | |
| SCHEMBL14229135 | 0.86 | TP53 (0.47) | ALDH1A1NPC1RAB9APAX8TP53 | |
| SCHEMBL14201035 | 0.85 | MLYCD (0.38) | ALDH1A1NPC1RAB9APAX8TP53 | |
| SCHEMBL14200342 | 0.84 | NPC1 (0.47) | ALDH1A1NPC1RAB9APAX8TP53 | |
| SCHEMBL14200338 | 0.82 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9APAX8TP53 | |
| SCHEMBL14200330 | 0.81 | MLYCD (0.44) | NPC1RAB9APAX8TP53JAK2 | |
| SCHEMBL14200471 | 0.81 | ALDH1A1 (0.41) | ALDH1A1NPC1RAB9ATSHRKMT2A | |
| SCHEMBL14200328 | 0.80 | LTB4R2 (0.49) | ALDH1A1NPC1RAB9APAX8TP53 | |
| SCHEMBL14200979 | 0.79 | NPC1 (0.41) | ALDH1A1NPC1RAB9APAX8TP53 |
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 |