Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1713412 | 0.86 | CA12 (0.40) | CA12CA2CA9CA1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL25406791 | 0.84 | CA12 (0.39) | CA12CA2CA9CA1ALDH1A1 | |
| Bromide SCHEMBL1535791 | 0.84 | CA12 (0.39) | CA12CA2CA9CA1ALDH1A1 | |
| SCHEMBL17363406 | 0.84 | CA12 (0.39) | CA12CA2CA9CA1ALDH1A1 | |
| SCHEMBL5878882 | 0.82 | CA12 (0.45) | CA12CA2CA9CA1TSHR | |
| Hydrochloric Acid SCHEMBL17363346 | 0.82 | CA12 (0.38) | CA12CA2CA9CA1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL25406673 | 0.82 | CA12 (0.41) | CA12CA2CA9CA1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL25324973 | 0.81 | CA12 (0.44) | CA12CA2CA9CA1TSHR | |
| SCHEMBL2639390 | 0.80 | — | — | |
| SCHEMBL14032813 | 0.79 | EHMT2 (0.32) | CA12CA2CA9CA1TSHR |
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-5726856-A | Hexasubstituted guanidinium salts and ultracapacitors employing them as electrolytes | GENERAL ELECTRIC COMPANY (US) | 1998-03-10 | — | — | US | claimed |