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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 5/20 | 0.49 |
| ▸ | CRHR1 | P34998 | 9/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL485738 | 0.98 | MRGPRX4 (0.51) | MRGPRX4CRHR1MAPTLMNAPOLB | |
| Formic Acid SCHEMBL27693419 | 0.94 | MRGPRX4 (0.49) | MRGPRX4CRHR1MAPTLMNAPOLB | |
| SCHEMBL485934 | 0.86 | CXCR2 (0.47) | MRGPRX4CRHR1MAPTLMNAPOLB | |
| SCHEMBL485710 | 0.86 | MRGPRX4 (0.56) | MRGPRX4CRHR1KMT2A | |
| Formic Acid SCHEMBL27693450 | 0.85 | MRGPRX4 (0.49) | MRGPRX4CRHR1MAPTLMNAPOLB | |
| SCHEMBL485567 | 0.84 | CXCR2 (0.47) | MRGPRX4CRHR1MAPTLMNAPOLB | |
| SCHEMBL486088 | 0.84 | MRGPRX4 (0.56) | MRGPRX4CRHR1KMT2A | |
| Formic Acid SCHEMBL27712986 | 0.83 | GRM5 (0.42) | MRGPRX4NPC1RAB9ASMN1; SMN2GAA | |
| Formic Acid SCHEMBL27693233 | 0.83 | CXCR2 (0.44) | MRGPRX4CRHR1MAPTLMNAPOLB | |
| SCHEMBL485826 | 0.82 | MRGPRX4 (0.51) | MRGPRX4CRHR1MAPTLMNAPOLB |
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 |