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 | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 3/20 | 0.47 |
| ▸ | HTR1E | P28566 | 3/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | HTR1D | P28221 | 3/20 | 0.41 |
| ▸ | HTR1B | P28222 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
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 SCHEMBL3697011 | 0.91 | PTGES (0.51) | PTGESHTR1ES1PR3MEN1LMNA | |
| Bicarbonate SCHEMBL3691123 | 0.89 | PTGES (0.48) | PTGESHTR1ES1PR3MEN1LMNA | |
| Bicarbonate SCHEMBL3692775 | 0.88 | PTGES (0.45) | PTGESHTR1ES1PR3MEN1LMNA | |
| SCHEMBL1178080 | 0.88 | PTGES (0.45) | PTGESHTR1ES1PR3MEN1LMNA | |
| Bicarbonate SCHEMBL3697013 | 0.83 | PTGES (0.50) | PTGESHTR1ES1PR3MEN1LMNA | |
| Bicarbonate SCHEMBL3706404 | 0.83 | PTGES (0.50) | PTGESHTR1ES1PR3MEN1LMNA | |
| Bicarbonate SCHEMBL3697753 | 0.83 | PTGES (0.46) | PTGESHTR1ES1PR3MEN1LMNA | |
| Bicarbonate SCHEMBL16735642 | 0.82 | HTR1E (0.63) | PTGESHTR1ES1PR3MEN1LMNA | |
| SCHEMBL1178316 | 0.82 | PTGES (0.40) | PTGESHTR1ES1PR3MEN1LMNA | |
| Bicarbonate SCHEMBL16735583 | 0.81 | HTR1E (0.55) | PTGESHTR1ES1PR3MEN1LMNA |
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-2268625-B1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Pharma AG (DE) | 2012-05-16 | — | — | EP | disclosed |