Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.50 |
| ▸ | SNCA | P37840 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30626287 | 0.91 | GRM5 (0.50) | GRM5SNCAHTTLMNAGRM4 | |
| SCHEMBL30626294 | 0.88 | GRM5 (0.49) | GRM5GRM4HDAC1HDAC3HDAC4 | |
| SCHEMBL30626232 | 0.87 | NPC1 (0.50) | GRM5SNCAHTTLMNAGRM4 | |
| SCHEMBL29143428 | 0.87 | GRM4 (0.50) | GRM5SNCAHTTLMNAGRM4 | |
| SCHEMBL30626271 | 0.87 | HDAC1 (0.52) | GRM5SNCAGRM4HDAC1HDAC3 | |
| SCHEMBL30626286 | 0.87 | GRM5 (0.50) | GRM5GRM4HDAC1HDAC3HDAC4 | |
| SCHEMBL30626279 | 0.87 | MAPT (0.54) | GRM5HTTLMNAHDAC1HDAC3 | |
| SCHEMBL30626224 | 0.87 | HDAC1 (0.60) | GRM5GRM4HDAC1HDAC3HDAC4 | |
| SCHEMBL30626239 | 0.86 | TLR7 (0.47) | HDAC1ABCB1ABCG2ALDH1A1 | |
| SCHEMBL30626259 | 0.85 | HDAC1 (0.46) | GRM5SNCAHTTLMNAGRM4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116606264-A | Method for synthesizing selenium/vulcanized 2-aminobiphenyl compounds and constructing selenium/sulfur-containing octamembered ring derivatives by palladium catalysis | 成都大学 | 2023-08-18 | — | — | CN | disclosed |