Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.53 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.53 |
| ▸ | CHEK2 | O96017 | 6/20 | 0.51 |
| ▸ | TOP1 | P11387 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | TCF4 | P15884 | 1/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| 4-Chloroaniline SCHEMBL29002251 | 0.95 | CHEK2 (0.58) | SIRT2SIRT1CHEK2TOP1KDM4E | |
| SCHEMBL1663678 | 0.94 | SIRT2 (0.58) | SIRT2SIRT1CHEK2TOP1KDM4E | |
| SCHEMBL13401685 | 0.90 | KDM4E (0.59) | CHEK2KDM4EALDH1A1HPGDKMT2A | |
| SCHEMBL29002252 | 0.87 | SIRT2 (0.44) | SIRT2SIRT1CHEK2TOP1KDM4E | |
| SCHEMBL20001676 | 0.85 | CHEK2 (0.64) | SIRT2SIRT1CHEK2PARP1 | |
| SCHEMBL1663682 | 0.84 | SIRT2 (0.71) | SIRT2SIRT1CHEK2KDM4EALDH1A1 | |
| SCHEMBL15223904 | 0.84 | SIRT2 (0.58) | SIRT2SIRT1CHEK2TOP1KDM4E | |
| SCHEMBL1663529 | 0.84 | TCF4 (0.58) | SIRT2SIRT1KDM4EALDH1A1HPGD | |
| SCHEMBL28930292 | 0.83 | KDM4E (0.68) | CHEK2KDM4EALDH1A1HPGDKMT2A | |
| SCHEMBL3568194 | 0.83 | CHEK2 (0.68) | SIRT2SIRT1CHEK2KDM4EALDH1A1 |
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-110234640-B | Benzimidazole derivatives as anticancer agents | 利昂贝拉尔中心 | 2023-04-07 | — | — | CN | disclosed |