Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4894720 | 0.97 | CA1 (0.38) | CA1CA2CA4CA12CA7 | |
| SCHEMBL5197763 | 0.97 | CA1 (0.38) | CA1CA2CA4CA12CA7 | |
| SCHEMBL14118262 | 0.93 | CA1 (0.36) | CA1CA2CA4CA12CA7 | |
| SCHEMBL41646 | 0.86 | CA1 (0.43) | CA1CA2CA4CA12CA7 | |
| SCHEMBL7702552 | 0.86 | CA1 (0.43) | CA1CA2CA4CA12CA7 | |
| SCHEMBL23589702 | 0.82 | CA1 (0.41) | CA1CA2CA4CA12CA7 | |
| SCHEMBL6470270 | 0.82 | CA1 (0.41) | CA1CA2CA4CA12CA7 | |
| SCHEMBL31540317 | 0.82 | CA1 (0.41) | CA1CA2CA4CA12CA7 | |
| SCHEMBL29214440 | 0.82 | CA1 (0.41) | CA1CA2CA4CA12CA7 | |
| Bromide SCHEMBL6247121 | 0.82 | CA1 (0.41) | CA1CA2CA4CA12CA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011031401-A2 | LITHIUM NON-FLUORINATED AND FLUORINATED PHENYL TRIFLUORO BORATE SALTS FOR NON-AQUEOUS BATTERY ELECTROLYTES | BROOKHAVEN SCIENCE ASSOCIATES LLC (US) | 2011-03-17 | — | — | WO | claimed |
| WO-2011031401-A2 | LITHIUM NON-FLUORINATED AND FLUORINATED PHENYL TRIFLUORO BORATE SALTS FOR NON-AQUEOUS BATTERY ELECTROLYTES | BROOKHAVEN SCIENCE ASSOCIATES LLC (US) | 2011-03-17 | — | — | WO | disclosed |