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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | 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 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.36 |
| ▸ | C3AR1 | Q16581 | 3/20 | 0.33 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTR1E | P28566 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL516984 | 0.88 | TP53 (0.38) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL517200 | 0.88 | TP53 (0.38) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL516985 | 0.88 | TP53 (0.38) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| Bicarbonate SCHEMBL1079990 | 0.86 | BDKRB2 (0.43) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL517315 | 0.85 | TP53 (0.46) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL518071 | 0.84 | TP53 (0.45) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| Bicarbonate SCHEMBL1080270 | 0.84 | TP53 (0.40) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL10176593 | 0.84 | LMNA (0.36) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| Bicarbonate SCHEMBL3693977 | 0.84 | C3AR1 (0.45) | CYP3A4TSHRC3AR1KMT2A | |
| SCHEMBL516988 | 0.84 | ADRA1D (0.35) | TP53CYP1A2CYP3A4CYP2D6TSHR |
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-2406215-B1 | OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF | BAYER IP GMBH (DE) | 2014-04-16 | — | — | EP | disclosed |