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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 2/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | CCR3 | P51677 | 3/20 | 0.38 |
| ▸ | PLAU | P00749 | 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 SCHEMBL9899621 | 0.91 | SMN1; SMN2 (0.42) | FAAHACKR3HTR1AHTR1DHTR1B | |
| Bicarbonate SCHEMBL16735545 | 0.91 | SMN1; SMN2 (0.42) | FAAHACKR3HTR1AHTR1DHTR1B | |
| Bicarbonate SCHEMBL16735564 | 0.91 | ACKR3 (0.47) | FAAHACKR3DRD2CCR3 | |
| Bicarbonate SCHEMBL9900300 | 0.91 | ALDH1A1 (0.43) | FAAHACKR3CCR3 | |
| Bicarbonate SCHEMBL16735613 | 0.89 | S1PR1 (0.49) | FAAHACKR3 | |
| Bicarbonate SCHEMBL16735571 | 0.89 | NLRP3 (0.41) | ACKR3HTR1AHTR1DHTR1B | |
| SCHEMBL10006265 | 0.84 | MAPT (0.38) | ACKR3DRD2 | |
| SCHEMBL9899892 | 0.83 | MAPT (0.38) | ACKR3DRD2 | |
| Bicarbonate SCHEMBL3702662 | 0.81 | ACHE (0.41) | ACKR3CCR3 | |
| Bicarbonate SCHEMBL3696258 | 0.81 | KCNJ6 (0.39) | ACKR3KLKB1CCR3 |
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-2649045-B1 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | BAYER IP GMBH (DE) | 2015-05-27 | — | — | EP | disclosed |