Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.49 |
| ▸ | PAK4 | O96013 | 1/20 | 0.49 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.49 |
| ▸ | LTK | P29376 | 1/20 | 0.49 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.49 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | CDK8 | P49336 | 1/20 | 0.49 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5579984 | 0.88 | CHEK1 (0.59) | AMY1AALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4495899 | 0.87 | AMY1A (0.53) | AMY1AKDM4EALDH1A1NPSR1NPC1 | |
| SCHEMBL6282502 | 0.85 | GAA (0.53) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2324234 | 0.85 | NPC1 (0.62) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28151599 | 0.83 | PLAU (0.46) | AMY1AKDM4EALDH1A1NPSR1PKM | |
| SCHEMBL2053008 | 0.81 | AMY1A (0.41) | AMY1AKDM4EALDH1A1NPSR1NPC1 | |
| SCHEMBL415254 | 0.80 | CHEK1 (0.55) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL124197 | 0.80 | CBFB (0.78) | KDM4ENPSR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1405835 | 0.79 | ALDH1A1 (0.47) | AMY1AKDM4EALDH1A1NPSR1NPC1 | |
| SCHEMBL4376237 | 0.79 | PLAU (0.43) | AMY1AKDM4EALDH1A1NPSR1NPC1 |
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-20070020418-A1 | Acetaldehyde scavenging by addition of active scavengers to bottle closures | HOWELL EARL E JR | 2007-01-25 | — | — | US | disclosed |
| US-20070020418-A1 | Acetaldehyde scavenging by addition of active scavengers to bottle closures | HOWELL EARL E JR | 2007-01-25 | — | — | US | disclosed |
| EP-1739026-A1 | Acetaldehyde scavenging by addition of active scavengers to bottle closures | Eastman Chemical Company (US) | 2007-01-03 | — | — | EP | disclosed |