Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CCNC | P24863 | 2/20 | 0.38 |
| ▸ | CDK8 | P49336 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | AXL | P30530 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL314379 | 0.93 | — | — | |
| SCHEMBL29720188 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL27912104 | 0.91 | — | — | |
| Cyanide SCHEMBL27862175 | 0.86 | SIRT3 (0.39) | SIRT3TDP1CCNCCDK8ALDH1A1 | |
| Oxirane SCHEMBL29170802 | 0.83 | SIRT3 (0.37) | SIRT3TDP1CCNCCDK8ALDH1A1 | |
| SCHEMBL793800 | 0.77 | — | — | |
| Ethoxycarbonyl Group SCHEMBL27884564 | 0.77 | CA12 (0.36) | SIRT3TDP1CCNCCDK8CYP3A4 | |
| Ethoxycarbonyl Group SCHEMBL30844535 | 0.77 | CA12 (0.36) | SIRT3TDP1CCNCCDK8CYP3A4 | |
| SCHEMBL29741232 | 0.73 | — | — | |
| SCHEMBL550773 | 0.73 | — | — |
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-117500785-A | Azetidinyl-containing carboxylic acid compounds for the treatment of neurodegenerative diseases | 细胞基因公司 | 2024-02-02 | — | — | CN | disclosed |