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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 3/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | CCR3 | P51677 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | NPY1R | P25929 | 3/20 | 0.34 |
| ▸ | DHPS | P49366 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL3696349 | 1.00 | ACKR3 (0.36) | ACKR3IDH1CCR3PARP1S1PR1 | |
| Bicarbonate SCHEMBL3704738 | 0.89 | ACHE (0.41) | ACKR3CCR3THRB | |
| Bicarbonate SCHEMBL3702662 | 0.89 | ACHE (0.41) | ACKR3CCR3THRB | |
| SCHEMBL3705356 | 0.89 | PTGES (0.36) | ACKR3IDH1PARP1S1PR1DHPS | |
| SCHEMBL3690993 | 0.89 | PTGES (0.36) | ACKR3IDH1PARP1S1PR1DHPS | |
| SCHEMBL1177941 | 0.89 | PTGES (0.36) | ACKR3IDH1PARP1S1PR1DHPS | |
| SCHEMBL12872208 | 0.88 | IDH1 (0.35) | ACKR3IDH1PARP1S1PR1NPY1R | |
| SCHEMBL12872206 | 0.88 | IDH1 (0.35) | ACKR3IDH1PARP1S1PR1NPY1R | |
| SCHEMBL1178525 | 0.88 | IDH1 (0.35) | ACKR3IDH1PARP1S1PR1NPY1R | |
| SCHEMBL7602084 | 0.87 | IDH1 (0.34) | ACKR3IDH1PARP1S1PR1NPY1R |
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 |