Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.39 |
| ▸ | CA1 | P00915 | 8/20 | 0.39 |
| ▸ | CA9 | Q16790 | 7/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CSF1R | P07333 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30586469 | 1.00 | CA2 (0.39) | CA2CA1CA9CA12CA4 | |
| SCHEMBL25251145 | 0.90 | CA2 (0.44) | CA2CA1CA9CA12CA4 | |
| SCHEMBL30586471 | 0.90 | CA2 (0.44) | CA2CA1CA9CA12CA4 | |
| SCHEMBL30581404 | 0.85 | ALDH1A1 (0.41) | ALDH1A1KDM4EMEN1GLAGAA | |
| SCHEMBL25255010 | 0.85 | ALDH1A1 (0.41) | ALDH1A1KDM4EMEN1GLAGAA | |
| SCHEMBL30586490 | 0.82 | MAPK1 (0.38) | ALDH1A1KDM4EMEN1GLAGAA | |
| SCHEMBL25259768 | 0.82 | KIF11 (0.47) | CA2CA1CA9CA12CA4 | |
| SCHEMBL30586480 | 0.82 | KIF11 (0.47) | CA2CA1CA9CA12CA4 | |
| SCHEMBL25257071 | 0.79 | CA2 (0.44) | CA2CA1CA9CA12CA4 | |
| SCHEMBL30586478 | 0.79 | CA2 (0.44) | CA2CA1CA9CA12CA4 |
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-116444544-A | Benzimidazole compound and medical application thereof | 中国科学院上海药物研究所 | 2023-07-18 | — | — | CN | disclosed |
| WO-2023131333-A1 | BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-07-13 | — | — | WO | disclosed |
| WO-2023131333-A1 | BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-07-13 | — | — | WO | disclosed |