Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28507456 | 0.87 | GAA (0.45) | GAACA1CA2CA9CA12 | |
| SCHEMBL28504178 | 0.84 | GAA (0.74) | GAACA1CA2CA9CA12 | |
| SCHEMBL28506092 | 0.82 | ALOX15 (0.46) | GAACA1CA2CA9CA12 | |
| SCHEMBL28509971 | 0.80 | TDP1 (0.44) | GAACA1CA2CA9CA12 | |
| SCHEMBL28517041 | 0.80 | TDP1 (0.60) | GAACA1CA2CA9CA12 | |
| SCHEMBL190005 | 0.79 | TDP1 (0.50) | GAACA1CA2CA9CA12 | |
| SCHEMBL18837 | 0.79 | TDP1 (0.50) | GAACA1CA2CA9CA12 | |
| SCHEMBL29381412 | 0.79 | TDP1 (0.50) | GAACA1CA2CA9CA12 | |
| SCHEMBL28510863 | 0.77 | GAA (0.52) | GAACA1CA2CA9CA12 | |
| SCHEMBL28502157 | 0.77 | GAA (0.52) | GAACA1CA2CA9CA12 |
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-109096156-B | Disulfonyl meta-aryl diamine urease inhibitor and preparation method and application thereof | 吉首大学 | 2021-01-15 | — | — | CN | disclosed |