Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2507765 | 0.82 | MEN1 (0.30) | — | |
| Trimethylammonium SCHEMBL1164205 | 0.79 | CA2 (0.43) | CA1CA2 | |
| SCHEMBL26929092 | 0.78 | CA1 (0.36) | CA1CA2 | |
| SCHEMBL26929037 | 0.77 | CA1 (0.44) | CA1CA2 | |
| Trimethylammonium SCHEMBL28449456 | 0.77 | CA2 (0.42) | CA1CA2 | |
| SCHEMBL7214 | 0.76 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL9484316 | 0.74 | CA2 (0.40) | CA1CA2 | |
| Isopropylamine SCHEMBL5088771 | 0.74 | CA2 (0.46) | CA1CA2 | |
| N,N-Dimethylethanaminium SCHEMBL1377761 | 0.74 | CA2 (0.40) | CA1CA2 | |
| SCHEMBL25349886 | 0.74 | CA1 (0.33) | CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5935348-A | AN AQUEOUS ACID TREATMENT SOLUTION FOR COATING BEVERAGE CANS, COMPRISING QUATERNARY AMMONIUM SALTS OR AMINE OXIDES SURFACTANT, HYDROXYCARBOXYLIC ACIDS, A FLUORIDE COMPOUND, MINERAL ACIDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1999-08-10 | — | — | US | disclosed |