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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 SCHEMBL6897174 | 0.98 | CYP1A2 (0.56) | CYP1A2CA1CA2CA4HSD11B1 | |
| Bicarbonate SCHEMBL10453200 | 0.95 | CYP1A2 (0.46) | CYP1A2CA1CA2CA4HSD11B1 | |
| Bicarbonate SCHEMBL10729677 | 0.93 | CYP1A2 (0.52) | CYP1A2CA1CA2CA4HSD11B1 | |
| Bicarbonate SCHEMBL9367749 | 0.90 | CYP2C9 (0.47) | CYP1A2CA1CA2CA4HPGD | |
| Bicarbonate SCHEMBL10617189 | 0.89 | CYP1A2 (0.48) | CYP1A2CA1CA2CA4HSD11B1 | |
| SCHEMBL9651301 | 0.89 | CYP1A2 (0.52) | CYP1A2CA1CA2CA4HSD11B1 | |
| SCHEMBL128592 | 0.87 | — | — | |
| SCHEMBL10430530 | 0.86 | CYP1A2 (0.54) | CYP1A2CA1CA2CA4HSD11B1 | |
| Urea SCHEMBL1838296 | 0.86 | CYP1A2 (0.54) | CYP1A2CA1CA2CA4HSD11B1 | |
| Bicarbonate SCHEMBL27361683 | 0.85 | CYP2C9 (0.44) | CYP1A2HPGDCYP2C9MAPTALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0220220-B1 | PROCESS OF PREPARING 2,2-DIBROMO-3-OXONITRILES | Henkel Kommanditgesellschaft auf Aktien (DE) | 1990-05-23 | — | — | EP | disclosed |
| EP-0220250-A1 | UTILIZATION OF NITRILES AS ANTIMICROBIAL AGENTS | Henkel Kommanditgesellschaft auf Aktien (DE) | 1987-05-06 | — | — | EP | disclosed |
| EP-0220220-A1 | Process of preparing 2,2-dibromo-3-oxonitriles. | HENKEL KGAA (DE) | 1987-05-06 | — | — | EP | disclosed |
| WO-1986006369-A1 | ANTI-MICROBIAL NITRILE AND ITS PRODUCTION | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1986-11-06 | — | — | WO | disclosed |
| WO-1986006254-A1 | UTILIZATION OF NITRILES AS ANTIMICROBIAL AGENTS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1986-11-06 | — | — | WO | disclosed |