Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.46 |
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29352228 | 0.88 | — | — | |
| SCHEMBL180042 | 0.88 | — | — | |
| Bromide SCHEMBL1682049 | 0.85 | CA3 (0.52) | CES2CES1CA3CA6CA5A | |
| Methane SCHEMBL28949904 | 0.85 | CA3 (0.52) | CES2CES1CA3CA6CA5A | |
| Hydrochloric Acid SCHEMBL1682129 | 0.85 | CA3 (0.52) | CES2CES1CA3CA6CA5A | |
| Methane SCHEMBL28021409 | 0.85 | CA3 (0.52) | CES2CES1CA3CA6CA5A | |
| SCHEMBL27856362 | 0.85 | CA3 (0.52) | CES2CES1CA3CA6CA5A | |
| Nitrogen SCHEMBL28393401 | 0.82 | CA3 (0.50) | CES2CES1CA3CA6CA5A | |
| Ethylene SCHEMBL28105896 | 0.82 | CA3 (0.50) | CES2CES1CA3CA6CA5A | |
| Bromide SCHEMBL27873066 | 0.82 | CA3 (0.50) | CES2CES1CA3CA6CA5A |
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 |