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 | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | UBE2M | P61081 | 2/20 | 0.40 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
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 | 0.90 | SMN1; SMN2 (0.42) | UBE2MDCUN1D1ALDH1A1ACKR3HTR1A | |
| Bicarbonate SCHEMBL16735545 | 0.90 | SMN1; SMN2 (0.42) | UBE2MDCUN1D1ALDH1A1ACKR3HTR1A | |
| Bicarbonate SCHEMBL16735655 | 0.89 | FAAH (0.44) | ACKR3HTR1AHTR1DHTR1B | |
| Bicarbonate SCHEMBL16735564 | 0.88 | ACKR3 (0.47) | ALDH1A1ACKR3 | |
| Bicarbonate SCHEMBL9900300 | 0.88 | ALDH1A1 (0.43) | UBE2MDCUN1D1ALDH1A1ACKR3 | |
| SCHEMBL10006368 | 0.85 | NLRP3 (0.41) | NLRP3UBE2MDCUN1D1NPC1RAB9A | |
| Bicarbonate SCHEMBL16735613 | 0.83 | S1PR1 (0.49) | ACKR3 | |
| SCHEMBL10006538 | 0.80 | NLRP3 (0.38) | NLRP3NPC1RAB9AALDH1A1 | |
| Bicarbonate SCHEMBL3702662 | 0.78 | ACHE (0.41) | ACKR3 | |
| Bicarbonate SCHEMBL3696258 | 0.78 | KCNJ6 (0.39) | ACKR3 |
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 |