Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GPX4 | P36969 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14200322 | 0.84 | TP53 (0.63) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL14229099 | 0.84 | TP53 (0.51) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL14200334 | 0.83 | TP53 (0.45) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL14200351 | 0.81 | SIGMAR1 (0.44) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL14200339 | 0.81 | CYP1A2 (0.48) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL11742926 | 0.81 | TP53 (0.47) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL14200236 | 0.80 | NPC1 (0.60) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL14200342 | 0.77 | NPC1 (0.47) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL14201040 | 0.76 | ALDH1A1 (0.36) | TP53ALDH1A1NPC1RAB9APAX8 | |
| SCHEMBL14200338 | 0.76 | ALDH1A1 (0.50) | 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 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-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |