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 | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
| ▸ | PTGES | O14684 | 2/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | C3AR1 | Q16581 | 3/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.33 |
| ▸ | HTR1E | P28566 | 2/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL517645 | 0.90 | PTGES (0.39) | PTGESSMN1; SMN2C3AR1 | |
| SCHEMBL517327 | 0.90 | PTGES (0.39) | PTGESSMN1; SMN2C3AR1 | |
| SCHEMBL517193 | 0.88 | PTGES (0.33) | PTGESSMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL517153 | 0.87 | PTGES (0.33) | PTGESSMN1; SMN2C3AR1MEN1KMT2A | |
| SCHEMBL10176573 | 0.87 | PTGES (0.33) | PTGESSMN1; SMN2C3AR1MEN1KMT2A | |
| SCHEMBL517807 | 0.86 | PTGES (0.31) | PTGESSMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL517806 | 0.85 | P4HB (0.32) | PTGES | |
| Bicarbonate SCHEMBL3693977 | 0.83 | C3AR1 (0.45) | CYP3A4TSHRC3AR1KMT2ACYP2C19 | |
| SCHEMBL3693796 | 0.82 | C3AR1 (0.42) | PTGESC3AR1KMT2A | |
| SCHEMBL1194091 | 0.82 | C3AR1 (0.42) | PTGESC3AR1KMT2A |
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 |