Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL292047 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCA2CA1 | |
| Phosphine SCHEMBL15251933 | 0.97 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRCA2CA1 | |
| Methyl Alcohol SCHEMBL6773345 | 0.95 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHRCA2CA1 | |
| Formaldehyde SCHEMBL27583784 | 0.93 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRCA2CA1 | |
| SCHEMBL27635856 | 0.87 | CA2 (0.40) | ALDH1A1TDP1TSHRCA2CA1 | |
| Diphenylsulfane SCHEMBL15063363 | 0.85 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRCA2CA1 | |
| SCHEMBL9275642 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRCA2CA1 | |
| SCHEMBL28655742 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRCA2CA1 | |
| SCHEMBL5080120 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRCA2CA1 | |
| SCHEMBL16425077 | 0.82 | PDK1 (0.38) | ALDH1A1TDP1TSHRCA2CA1 |
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-116323557-A | Cyclobutylamide monoacylglycerol lipase modulators | 詹森药业有限公司 | 2023-06-23 | — | — | CN | disclosed |