Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.63 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.53 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL304176 | 0.98 | TDP1 (0.78) | TDP1ALDH1A1MAPK1L3MBTL1KEAP1 | |
| SCHEMBL28207503 | 0.96 | TDP1 (0.75) | TDP1ALDH1A1MAPK1L3MBTL1KEAP1 | |
| Ammonia Solution, Strong SCHEMBL28588274 | 0.96 | TDP1 (0.75) | TDP1ALDH1A1MAPK1L3MBTL1KEAP1 | |
| SCHEMBL305392 | 0.91 | TDP1 (0.68) | TDP1ALDH1A1MAPK1L3MBTL1CASP1 | |
| SCHEMBL3708328 | 0.90 | TDP1 (0.66) | TDP1ALDH1A1MAPK1L3MBTL1CASP1 | |
| SCHEMBL28450115 | 0.88 | TDP1 (0.64) | TDP1ALDH1A1MAPK1L3MBTL1APP | |
| SCHEMBL20224987 | 0.88 | TDP1 (0.64) | TDP1ALDH1A1MAPK1L3MBTL1KEAP1 | |
| SCHEMBL11286167 | 0.88 | TDP1 (0.64) | TDP1ALDH1A1MAPK1L3MBTL1KEAP1 | |
| SCHEMBL20824921 | 0.88 | TDP1 (0.64) | TDP1ALDH1A1MAPK1L3MBTL1KEAP1 | |
| SCHEMBL22162624 | 0.88 | TDP1 (0.64) | TDP1ALDH1A1MAPK1L3MBTL1KEAP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6469193-B1 | THREE COMPONENT COUPLINGS OF ALIPHATIC ALCOHOLS, ALKYL HALIDES AND CARBON DIOXIDE IN THE PRESENCE OF CESIUM CARBONATE AND TETRABUTYLAMMONIUM IODIDE | UNIVERSITY OF SOUTH FLORIDA | 2002-10-22 | — | — | US | disclosed |
| WO-2000050376-A9 | EFFICIENT SYNTHESIS OF ALKYL CARBONATES | UNIV SOUTH FLORIDA (US) | 2001-10-11 | — | — | WO | disclosed |
| WO-2000050376-A2 | EFFICIENT SYNTHESIS OF ALKYL CARBONATES | UNIVERSITY OF SOUTH FLORIDA (US) | 2000-08-31 | — | — | WO | disclosed |