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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | CCR3 | P51677 | 3/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.34 |
| ▸ | ACKR3 | P25106 | 5/20 | 0.33 |
| ▸ | ACP1 | P24666 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1080947 | 0.91 | PTGES (0.38) | PTGESMAOBCHRM2CHRM1CHRM3 | |
| SCHEMBL1178170 | 0.91 | PTGES (0.48) | PTGESMAOBC3AR1 | |
| SCHEMBL3695079 | 0.91 | PTGES (0.37) | PTGESMAOBCHRM2CHRM1CHRM3 | |
| Bicarbonate SCHEMBL1080702 | 0.89 | PTGES (0.48) | PTGESMAOBCCR3ACKR3PRKAA2 | |
| SCHEMBL1178056 | 0.89 | PTGES (0.42) | PTGESMAOBCHRM2CHRM1CHRM3 | |
| SCHEMBL1178655 | 0.86 | PTGES (0.34) | PTGESMAOBCHRM2CHRM1CHRM3 | |
| SCHEMBL1178336 | 0.84 | MAOB (0.34) | MAOBCHRM2CHRM1CHRM3C3AR1 | |
| Bicarbonate SCHEMBL3691824 | 0.82 | ACKR3 (0.37) | MAOBCCR3ACKR3ACP1HTR1A | |
| Bicarbonate SCHEMBL3694545 | 0.82 | PARP1 (0.37) | MAOBCCR3ACKR3ACP1HTR1A | |
| SCHEMBL1178561 | 0.82 | PTGES (0.46) | PTGESMAOBACKR3PRKAA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2268625-B1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Pharma AG (DE) | 2012-05-16 | — | — | EP | disclosed |
| 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 |