Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.69 |
| ▸ | NPC1 | O15118 | 3/20 | 0.69 |
| ▸ | RAB9A | P51151 | 3/20 | 0.69 |
| ▸ | PAX8 | Q06710 | 3/20 | 0.69 |
| ▸ | GPX4 | P36969 | 2/20 | 0.69 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.50 |
| ▸ | JAK2 | O60674 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | POLQ | O75417 | 1/20 | 0.43 |
| ▸ | MLYCD | O95822 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4164807 | 0.92 | ALDH1A1 (0.62) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL4154740 | 0.88 | TP53 (0.58) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL4154918 | 0.87 | TP53 (0.64) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL11346157 | 0.85 | RAB9A (0.64) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL14200332 | 0.85 | ALDH1A1 (0.64) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL14229218 | 0.84 | TP53 (0.51) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL24496384 | 0.84 | ALDH1A1 (0.80) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL14229243 | 0.84 | TP53 (0.56) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL14229681 | 0.84 | TP53 (0.56) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL14229341 | 0.84 | LTB4R2 (0.58) | TP53ALDH1A1NPC1RAB9APAX8 |
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 |