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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | FFAR2 | O15552 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CCR3 | P51677 | 1/20 | 0.35 |
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 SCHEMBL16735627 | 0.91 | FFAR2 (0.38) | CYP3A4FFAR2TSHRCCR3 | |
| Bicarbonate SCHEMBL16735616 | 0.91 | KMT2A (0.41) | TRPV1FFAR2LMNASMN1; SMN2MEN1 | |
| Bicarbonate SCHEMBL16735549 | 0.90 | FFAR2 (0.38) | FFAR2LMNAKEAP1NFE2L2 | |
| Bicarbonate SCHEMBL16735610 | 0.86 | CCR3 (0.36) | TRPV1FFAR2LMNAKEAP1NFE2L2 | |
| Bicarbonate SCHEMBL9899636 | 0.85 | KMT2A (0.41) | TRPV1LMNAHTTSMN1; SMN2KEAP1 | |
| SCHEMBL10006615 | 0.84 | CYP1A2 (0.41) | PTGESCYP1A2CYP3A4CYP2D6CYP2C19 | |
| Bicarbonate SCHEMBL16735635 | 0.84 | KMT2A (0.47) | LMNASMN1; SMN2MEN1KMT2A | |
| Bicarbonate SCHEMBL16735564 | 0.83 | ACKR3 (0.47) | PTGESFFAR2LMNADRD2CCR3 | |
| Bicarbonate SCHEMBL16735611 | 0.83 | KLKB1 (0.35) | TRPV1LMNASMN1; SMN2KEAP1NFE2L2 | |
| Bicarbonate SCHEMBL16735568 | 0.83 | KMT2A (0.39) | TRPV1HTTSMN1; SMN2MEN1KMT2A |
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-2649045-B1 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | BAYER IP GMBH (DE) | 2015-05-27 | — | — | EP | disclosed |