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 | |
|---|---|---|---|---|
| ▸ | BDKRB2 | P30411 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | C3AR1 | Q16581 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
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 SCHEMBL3704950 | 0.95 | C3AR1 (0.41) | BDKRB2TP53C3AR1 | |
| SCHEMBL12872101 | 0.94 | BDKRB2 (0.41) | BDKRB2TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1079989 | 0.94 | BDKRB2 (0.41) | BDKRB2TP53CYP1A2CYP3A4CYP2D6 | |
| Bicarbonate SCHEMBL3695270 | 0.93 | PTGES (0.41) | BDKRB2 | |
| SCHEMBL1178266 | 0.93 | BDKRB2 (0.41) | BDKRB2TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12871694 | 0.91 | BDKRB2 (0.40) | BDKRB2TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1081746 | 0.91 | BDKRB2 (0.40) | BDKRB2CYP3A4MEN1KMT2A | |
| Bicarbonate SCHEMBL3693843 | 0.90 | BDKRB2 (0.41) | BDKRB2TP53CYP1A2CYP3A4CYP2D6 | |
| Bicarbonate SCHEMBL1080270 | 0.90 | TP53 (0.40) | BDKRB2TP53CYP1A2CYP3A4CYP2D6 | |
| Bicarbonate SCHEMBL3693977 | 0.90 | C3AR1 (0.45) | CYP3A4TSHRC3AR1KMT2A |
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-2268625-B1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Pharma AG (DE) | 2012-05-16 | — | — | EP | disclosed |
| EP-2268625-A1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009127338-A1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-10-22 | — | — | WO | disclosed |