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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 5/20 | 0.36 |
| ▸ | SGMS1 | Q86VZ5 | 1/20 | 0.33 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 4/20 | 0.32 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.32 |
| ▸ | UBE2M | P61081 | 1/20 | 0.32 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 2/20 | 0.31 |
| ▸ | UBE2N | P61088 | 2/20 | 0.31 |
| ▸ | IDE | P14735 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
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 SCHEMBL5183776 | 0.98 | TACR1 (0.36) | TACR1SGMS1SGMS2CETPCXCR3 | |
| Hydrochloric Acid SCHEMBL1897983 | 0.94 | APAF1 (0.32) | TACR1CETPAPAF1UBE2NIDE | |
| Bicarbonate SCHEMBL5197147 | 0.93 | CETP (0.33) | TACR1SGMS1SGMS2CETPCXCR3 | |
| SCHEMBL4826930 | 0.93 | APAF1 (0.32) | TACR1CETPAPAF1UBE2NIDE | |
| Hydrochloric Acid SCHEMBL1903810 | 0.93 | CETP (0.37) | CETPCXCR3PTGDR2GPBAR1 | |
| SCHEMBL4830767 | 0.92 | CETP (0.38) | CETPCXCR3PTGDR2GPBAR1 | |
| Hydrochloric Acid SCHEMBL1900215 | 0.91 | CETP (0.37) | TACR1CETPCXCR3PTGDR2GPBAR1 | |
| SCHEMBL4830761 | 0.90 | CETP (0.38) | TACR1CETPCXCR3PTGDR2GPBAR1 | |
| Hydrochloric Acid SCHEMBL1898899 | 0.89 | CETP (0.33) | TACR1CETPCXCR3PTGDR2 | |
| SCHEMBL4824131 | 0.88 | CETP (0.33) | TACR1CETPCXCR3PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1533292-B1 | DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2007-02-14 | — | — | EP | claimed |