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 | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | HPGDS | O60760 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CD74 | P04233 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | SCN4A | P35499 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.35 |
| ▸ | COMT | P21964 | 1/20 | 0.34 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8621552 | 0.73 | HPGDS (0.36) | HCAR2NPC1RAB9ASMN1; SMN2PKM | |
| SCHEMBL9978274 | 0.72 | TSHR (0.43) | ALOX15NPC1RAB9ASMN1; SMN2PKM | |
| SCHEMBL32685352 | 0.70 | — | — | |
| SCHEMBL220117 | 0.69 | HPGDS (0.37) | NPC1RAB9AHPGDSPDPK1POLB | |
| SCHEMBL40333 | 0.68 | — | — | |
| SCHEMBL2889027 | 0.68 | — | — | |
| SCHEMBL1012929 | 0.68 | — | — | |
| Fluoromethane SCHEMBL28844884 | 0.68 | HCAR2 (0.87) | HCAR2ALOX15NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL31557609 | 0.67 | — | — | |
| SCHEMBL16180186 | 0.67 | — | — |
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-1436273-A1 | SUBSTITUTED PIPERAZINE CYCLOHEXANE CARBOXILIC ACID AMIDES AND THE USE THEREOF | Bayer HealthCare AG (DE) | 2004-07-14 | — | — | EP | disclosed |
| WO-2003033484-A1 | SUBSTITUTED PIPERAZINE CYCLOHEXANE CARBOXILIC ACID AMIDES AND THE USE THEREOF | BAYER HEALTHCARE AG (DE) | 2003-04-24 | — | — | WO | disclosed |