Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | STK17B | O94768 | 1/20 | 0.44 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31505328 | 0.92 | NQO2 (0.54) | NQO2TDP1NPSR1HTTBCHE | |
| SCHEMBL20481027 | 0.85 | APP (0.51) | NQO2TDP1NPSR1HTTBCHE | |
| SCHEMBL30336000 | 0.85 | APP (0.51) | NQO2TDP1NPSR1HTTBCHE | |
| SCHEMBL30441722 | 0.81 | BRD4 (0.42) | NQO2TDP1NPSR1HTTBCHE | |
| SCHEMBL8973316 | 0.80 | NPSR1 (0.44) | NQO2TDP1NPSR1HTTBCHE | |
| SCHEMBL30441946 | 0.77 | ALDH1A1 (0.46) | NQO2TDP1NPSR1GAACYP3A4 | |
| SCHEMBL16765682 | 0.77 | NQO2 (0.50) | NQO2NPSR1HTTBCHEGAA | |
| SCHEMBL6424982 | 0.77 | SUCNR1 (0.48) | NQO2STK17BSTK17ACYP3A4KDM4E | |
| SCHEMBL6424985 | 0.77 | KDM4E (0.48) | NQO2TDP1NPSR1HTTBCHE | |
| SCHEMBL28580348 | 0.76 | NQO2 (0.49) | NQO2NPSR1HTTBCHEGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022078152-A1 | BENZIMIDAZOLONE GLP-1 RECEPTOR AGONIST AND USE THEREOF | 杭州中美华东制药有限公司 | 2022-04-21 | — | — | WO | disclosed |