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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.46 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.46 |
| ▸ | CCR3 | P51677 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL1066829 | 0.91 | MAOB (0.50) | MAOAMAOBCCR3MEN1KMT2A | |
| SCHEMBL1867074 | 0.85 | CCR3 (0.52) | CCR3MEN1KMT2A | |
| SCHEMBL22368803 | 0.84 | MAOA (0.47) | MAOAMAOBCCR3OPRM1OPRD1 | |
| SCHEMBL10347651 | 0.82 | MAOA (0.46) | MAOAMAOBGRM2GRM3CCR3 | |
| SCHEMBL1867326 | 0.79 | GBA1 (0.62) | MAOAMAOBCYP19A1 | |
| SCHEMBL16187777 | 0.77 | GBA1 (0.53) | CCR3MEN1KMT2A | |
| SCHEMBL2332298 | 0.76 | MAOB (0.43) | MAOAMAOBGRM2GRM3CCR3 | |
| Bicarbonate SCHEMBL10634538 | 0.76 | MAOA (0.55) | MAOAMAOBGRM2GRM3CYP19A1 | |
| SCHEMBL18412548 | 0.75 | KDM4E (0.50) | MEN1KMT2A | |
| SCHEMBL22369104 | 0.75 | MAOB (0.46) | MAOAMAOBGRM2GRM3CYP19A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2268625-A1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009127338-A1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-10-22 | — | — | WO | disclosed |