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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL3225179 | 0.95 | TSHR (0.59) | TSHRCA1CA2TDP1LMNA | |
| Bicarbonate SCHEMBL3225171 | 0.95 | TSHR (0.59) | TSHRCA1CA2TDP1LMNA | |
| SCHEMBL173424 | 0.91 | TSHR (0.62) | TSHRCA1CA2TDP1LMNA | |
| SCHEMBL173425 | 0.91 | TSHR (0.62) | TSHRCA1CA2TDP1LMNA | |
| SCHEMBL14710749 | 0.91 | TSHR (0.62) | TSHRCA1CA2TDP1LMNA | |
| SCHEMBL15057638 | 0.77 | TSHR (0.62) | TSHRCA1CA2TDP1LMNA | |
| 4-Nitrobenzoic Acid SCHEMBL27900174 | 0.74 | TDP1 (0.88) | TSHRCA1CA2TDP1LMNA | |
| SCHEMBL260727 | 0.74 | TSHR (1.00) | TSHRCA1CA2TDP1LMNA | |
| 4-Nitrobenzoic Acid SCHEMBL1566326 | 0.74 | CA1 (0.95) | TSHRCA1CA2TDP1LMNA | |
| Terephthalamide SCHEMBL27950892 | 0.74 | TSHR (1.00) | TSHRCA1CA2TDP1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010023609-A1 | OXAZOLE, OXADIAZOLE AND THIAZOLE DERIVATIVES AS DIACYLGLYCEROL ACYLTRANFERASE INHIBITORS | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2010-03-04 | — | — | WO | disclosed |