Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28871299 | 0.90 | POLB (0.44) | ALDH1A1GRM2POLB | |
| SCHEMBL29968130 | 0.90 | POLB (0.44) | ALDH1A1GRM2POLB | |
| SCHEMBL31029252 | 0.86 | DDAH1 (0.53) | ALDH1A1GRM2CHEK1DDAH1ADORA3 | |
| SCHEMBL28871267 | 0.86 | DDAH1 (0.53) | ALDH1A1GRM2CHEK1DDAH1ADORA3 | |
| SCHEMBL1917210 | 0.81 | MGAM (0.47) | ALDH1A1 | |
| SCHEMBL28379367 | 0.81 | POLB (0.44) | POLBPDE10A | |
| SCHEMBL10397230 | 0.80 | PDE10A (0.57) | CHEK1DDAH1POLBKDM4EPDE10A | |
| SCHEMBL1917492 | 0.80 | PSMB8 (0.49) | CHEK1DDAH1POLBKDM4EADORA3 | |
| SCHEMBL7964155 | 0.80 | CHEK1 (0.58) | CHEK1DDAH1POLBKDM4EPDE10A | |
| SCHEMBL31546228 | 0.80 | POLB (0.46) | POLBKDM4EPDE10A |
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 |
|---|---|---|---|---|---|---|---|
| CN-115260165-B | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |
| CN-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |
| WO-1991013063-A1 | NEW BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING THEM AND THEIR PHARMACEUTICAL USE | SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) | 1991-09-05 | — | — | WO | disclosed |