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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 8/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | CXCR6 | O00574 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.42 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL485827 | 0.98 | MAOB (0.47) | ALOX5HDAC6ALOX5APMAOBRAB9A | |
| Bicarbonate SCHEMBL485447 | 0.83 | MAOB (0.50) | ALOX5ALOX5APMAOBRAB9ANPC1 | |
| SCHEMBL485404 | 0.81 | CYSLTR1 (0.44) | ALOX5APCYSLTR2CYSLTR1GPBAR1 | |
| SCHEMBL486258 | 0.81 | MAOB (0.52) | ALOX5ALOX5APMAOBRAB9ANPC1 | |
| SCHEMBL485460 | 0.79 | CXCR2 (0.62) | ALOX5APCYSLTR2CYSLTR1GPBAR1 | |
| Formic Acid SCHEMBL27693254 | 0.77 | MAOB (0.48) | ALOX5ALOX5APMAOBRAB9ANPC1 | |
| SCHEMBL485707 | 0.77 | ALOX5AP (0.51) | ALOX5HDAC6ALOX5APRAB9AMCHR1 | |
| Formic Acid SCHEMBL27693208 | 0.77 | ALOX5AP (0.51) | ALOX5HDAC6ALOX5APRAB9AMCHR1 | |
| SCHEMBL485499 | 0.77 | CXCR2 (0.49) | ALOX5APCYSLTR2CYSLTR1GPBAR1 | |
| Bicarbonate SCHEMBL485488 | 0.75 | SENP5 (0.45) | RAB9ANPC1MEN1ALDH1A1LMNA |
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-1836158-B1 | FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION | SANOFI AVENTIS DEUTSCHLAND (DE) | 2012-02-01 | — | — | EP | claimed |