Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 8/20 | 0.69 |
| ▸ | EGFR | P00533 | 2/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.63 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.63 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.63 |
| ▸ | PRKCG | P05129 | 1/20 | 0.63 |
| ▸ | PRKACA | P17612 | 1/20 | 0.63 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.63 |
| ▸ | AKT1 | P31749 | 1/20 | 0.63 |
| ▸ | GSK3A | P49840 | 1/20 | 0.63 |
| ▸ | GSK3B | P49841 | 1/20 | 0.63 |
| ▸ | PRKX | P51817 | 1/20 | 0.63 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.63 |
| ▸ | PRKG2 | Q13237 | 1/20 | 0.63 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.63 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.63 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.63 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.63 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL29032712 | 1.00 | HDAC1 (0.69) | HDAC1EGFRMAPK1ROCK2RPS6KA5 | |
| SCHEMBL29032787 | 0.89 | CFD (0.71) | HDAC1EGFRMAP4K4PRKCGROCK1 | |
| SCHEMBL30450570 | 0.89 | CFD (0.71) | HDAC1EGFRMAP4K4PRKCGROCK1 | |
| SCHEMBL539059 | 0.85 | EPHX2 (0.84) | HDAC1EGFRMAPK1ROCK2RPS6KA5 | |
| SCHEMBL29032741 | 0.84 | CFD (0.52) | HDAC1EGFREPHX2NR1H4HDAC2 | |
| SCHEMBL30451611 | 0.83 | HDAC1 (0.60) | HDAC1EGFRMAPK1ROCK2RPS6KA5 | |
| SCHEMBL3771860 | 0.82 | HDAC1 (1.00) | HDAC1HDAC2HDAC3 | |
| SCHEMBL11900090 | 0.81 | HDAC6 (0.85) | HDAC1EGFRMAPK1ROCK2RPS6KA5 | |
| SCHEMBL4981515 | 0.81 | EPHX2 (0.77) | HDAC1EGFRMAPK1ROCK2RPS6KA5 | |
| SCHEMBL3025457 | 0.80 | HDAC6 (0.91) | HDAC1EGFRMAPK1ROCK2RPS6KA5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116253686-B | Aminobenzimidazole benzamide derivative and application thereof | 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) | 2023-11-17 | — | — | CN | disclosed |
| CN-116253686-A | Aminobenzimidazole benzamide derivative and application thereof | 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) | 2023-06-13 | — | — | CN | disclosed |