Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.79 |
| ▸ | CA1 | P00915 | 3/20 | 0.79 |
| ▸ | CA9 | Q16790 | 3/20 | 0.79 |
| ▸ | F2 | P00734 | 3/20 | 0.56 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.56 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.56 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.56 |
| ▸ | CDK2 | P24941 | 1/20 | 0.55 |
| ▸ | LDHA | P00338 | 1/20 | 0.50 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.50 |
| ▸ | HTR6 | P50406 | 2/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | ATIC | P31939 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29529240 | 0.89 | CA2 (1.00) | CA2CA1CA9F2PRSS1 | |
| SCHEMBL28464 | 0.89 | CA2 (1.00) | CA2CA1CA9F2PRSS1 | |
| Ammonia Solution, Strong SCHEMBL28028391 | 0.87 | CA2 (0.96) | CA2CA1CA9F2PRSS1 | |
| SCHEMBL27901054 | 0.87 | CA2 (0.96) | CA2CA1CA9F2PRSS1 | |
| Hydrochloric Acid SCHEMBL951327 | 0.87 | CA2 (0.96) | CA2CA1CA9F2PRSS1 | |
| Benzene SCHEMBL11062753 | 0.87 | CA2 (0.96) | CA2CA1CA9F2PRSS1 | |
| Hydrochloric Acid SCHEMBL8125684 | 0.85 | CA2 (0.92) | CA2CA1CA9F2PRSS1 | |
| Acetamide SCHEMBL11095227 | 0.84 | CA1 (0.55) | CA2CA1CA9F2PRSS1 | |
| Phosphoric Acid SCHEMBL28841729 | 0.84 | CA2 (0.81) | CA2CA1CA9F2PRSS1 | |
| Isothiocyanate SCHEMBL28619475 | 0.79 | CA2 (0.79) | CA2CA1CA9F2PRSS1 |
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-113264859-B | Naphthalene sulfonamide isothiocyanate bifunctional micromolecules as well as preparation method and application thereof | 宁夏医科大学 | 2023-02-07 | — | — | CN | disclosed |
| CN-113264859-A | Naphthalene sulfonamide isothiocyanate bifunctional micromolecules as well as preparation method and application thereof | 宁夏医科大学 | 2021-08-17 | — | — | CN | disclosed |