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 | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.34 |
| ▸ | MMP1 | P03956 | 5/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | CFB | P00751 | 4/20 | 0.30 |
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 SCHEMBL8848378 | 0.89 | DPP4 (0.33) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Bicarbonate SCHEMBL8848615 | 0.86 | CHRM2 (0.38) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Bicarbonate SCHEMBL9069099 | 0.86 | THRB (0.34) | POLBKDM4EMAPTP2RX7 | |
| Bicarbonate SCHEMBL9069859 | 0.85 | FFAR4 (0.34) | POLBKDM4EMAPTP2RX7 | |
| SCHEMBL8090780 | 0.81 | MMP1 (0.32) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL8848637 | 0.79 | EPHX2 (0.30) | P2RX7 | |
| Bicarbonate SCHEMBL8849115 | 0.74 | NPC1 (0.35) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL8315306 | 0.73 | CYP19A1 (0.42) | POLBKDM4EMAPTP2RX7 | |
| SCHEMBL8579826 | 0.72 | MEN1 (0.33) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL8089426 | 0.71 | DPP4 (0.32) | MAPTP2RX7 |
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-0769001-A1 | 2-ARYL CYCLOPENTANE-1,3-DIONE DERIVATIVES | BAYER AG (DE) | 1997-04-23 | — | — | EP | disclosed |
| WO-1996001798-A1 | 2-ARYL CYCLOPENTANE-1,3-DIONE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-01-25 | — | — | WO | disclosed |