Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 7/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | PDE6D | O43924 | 1/20 | 0.51 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.51 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28507437 | 0.92 | PTGER4 (0.55) | HRH3ALDH1A1PDE6DALDH2ALDH3A1 | |
| SCHEMBL28503579 | 0.82 | ALDH1A1 (0.63) | BRD4ALDH1A1PDE6DALDH2ALDH3A1 | |
| SCHEMBL28503584 | 0.82 | PIK3CA (0.62) | ALDH1A1CYP2C19 | |
| SCHEMBL22955650 | 0.80 | AGTR1 (0.48) | ALDH1A1PKMNPC1RAB9A | |
| SCHEMBL22955584 | 0.80 | HTR2C (0.45) | ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL28505411 | 0.77 | DRD2 (0.66) | BRD4ALDH1A1PDE6DALDH2ALDH3A1 | |
| SCHEMBL22955374 | 0.77 | HTR2C (0.48) | — | |
| SCHEMBL22955902 | 0.76 | HTR2C (0.44) | PKMNPC1RAB9A | |
| SCHEMBL14382294 | 0.76 | PDE2A (0.61) | BRD4ALDH1A1PDE6DALDH2ALDH3A1 | |
| SCHEMBL20467484 | 0.74 | HPGD (0.77) | ALDH1A1HTTNPC1RAB9A |
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-107311933-B | Benzimidazole derivative, preparation method and application thereof | 中国人民解放军军事医学科学院毒物药物研究所 | 2020-12-22 | — | — | CN | disclosed |