Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CA5A | P35218 | 2/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.40 |
| ▸ | NT5E | P21589 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| Hydroxyamine SCHEMBL27479784 | 0.88 | CA2 (0.47) | CA2CA1TSHRCA5ACA5B | |
| Hydrazine SCHEMBL715886 | 0.88 | CA2 (0.47) | CA2CA1TSHRCA5ACA5B | |
| Ethane SCHEMBL4775777 | 0.88 | CA2 (0.47) | CA2CA1TSHRCA5ACA5B | |
| Hydrazine SCHEMBL7178457 | 0.88 | CA2 (0.47) | CA2CA1TSHRCA5ACA5B | |
| SCHEMBL56331 | 0.88 | CA2 (0.54) | CA2CA1TSHRCA5ACA5B | |
| SCHEMBL3781 | 0.88 | — | — | |
| Hydroxyamine SCHEMBL11041757 | 0.85 | CA2 (0.44) | CA2CA1TSHRCA5ACA5B | |
| SCHEMBL11497556 | 0.85 | CA2 (0.44) | CA2CA1TSHRCA5ACA5B | |
| Hydroxyamine SCHEMBL11041766 | 0.85 | CA2 (0.44) | CA2CA1TSHRCA5ACA5B | |
| Water SCHEMBL10934974 | 0.84 | CA2 (0.50) | CA2CA1TSHRCA5ACA5B |
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-107835806-A | The catalytic hydrogenation of substituted cyanopyridine and the method for preparing the pyridylmethyl benzamide substituted | 拜耳作物科学股份公司 | 2018-03-23 | — | — | CN | disclosed |