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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | CA6 | P23280 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.50 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA4 | P22748 | 3/20 | 0.48 |
| ▸ | CA5A | P35218 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CA3 | P07451 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL852246 | 0.93 | PAOX (0.54) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL28839058 | 0.93 | PAOX (0.54) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL28262529 | 0.91 | PAOX (0.52) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL6429271 | 0.87 | PAOX (0.53) | CA12CA6CA7CA9CA14 | |
| SCHEMBL254034 | 0.87 | — | — | |
| Bicarbonate SCHEMBL2443699 | 0.87 | CA12 (0.67) | CA12CA6CA7CA9CA14 | |
| Bicarbonate SCHEMBL28444878 | 0.87 | PAOX (0.54) | PAOXALOX15ALDH1A1TDP1CA1 | |
| Bicarbonate SCHEMBL10634656 | 0.84 | CA12 (0.69) | CA12CA6CA7CA9CA14 | |
| Trientine SCHEMBL20639324 | 0.84 | CA12 (0.69) | CA12CA6CA7CA9CA14 | |
| Ammonia Solution, Strong SCHEMBL3074798 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3058008-B1 | USE OF WATER-EMULSIFIABLE POLYURETHANE ACRYLATES | BASF SE (DE) | 2017-06-14 | — | — | EP | claimed |
| WO-2008148739-A1 | METHOD FOR THE PRODUCTION OF WATER-EMULSIFIABLE POLYURETHANE ACRYLATES | BASF SE (DE) | 2008-12-11 | — | — | WO | claimed |
| WO-2008148739-A1 | METHOD FOR THE PRODUCTION OF WATER-EMULSIFIABLE POLYURETHANE ACRYLATES | BASF SE (DE) | 2008-12-11 | — | — | WO | disclosed |