Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.67 |
| ▸ | LTA4H | P09960 | 2/20 | 0.56 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| Anisole SCHEMBL27466141 | 0.88 | CA4 (0.64) | CA4LTA4HTRPA1DRD2DRD4 | |
| Anisole SCHEMBL28196853 | 0.85 | CA4 (0.74) | CA4LTA4HTRPA1DRD2DRD4 | |
| Anisole SCHEMBL27565944 | 0.85 | CA4 (0.74) | CA4LTA4HTRPA1DRD2DRD4 | |
| Anisole SCHEMBL28196857 | 0.85 | CA4 (0.74) | CA4LTA4HTRPA1DRD2DRD4 | |
| Anisole SCHEMBL23856067 | 0.83 | CA4 (0.70) | CA4LTA4HTRPA1DRD2DRD4 | |
| Anisole SCHEMBL29255954 | 0.83 | CA4 (0.70) | CA4LTA4HTRPA1DRD2DRD4 | |
| Anisole SCHEMBL29215141 | 0.83 | CA4 (0.70) | CA4LTA4HTRPA1DRD2DRD4 | |
| Anisole SCHEMBL28104145 | 0.83 | CA4 (0.70) | CA4LTA4HTRPA1DRD2DRD4 | |
| Anisole SCHEMBL28123274 | 0.83 | CA4 (0.70) | CA4LTA4HTRPA1DRD2DRD4 | |
| Anisole SCHEMBL27676752 | 0.83 | CA4 (0.56) | CA4LTA4HTRPA1DRD2DRD4 |
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-118271261-A | Dicarbonyl compound containing cyclobutane segment and synthesis method thereof | 中国科学技术大学 | 2024-07-02 | — | — | CN | disclosed |
| CN-117466817-A | Preparation method of polysubstituted pyrazole derivative | 华侨大学 | 2024-01-30 | — | — | CN | disclosed |