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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TLR4 | O00206 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL9367749 | 0.95 | CYP2C9 (0.47) | CYP2C9MAPTALDH1A1LMNATLR4 | |
| Bicarbonate SCHEMBL10453091 | 0.85 | CYP1A2 (0.52) | CYP2C9MAPTALDH1A1LMNAKMT2A | |
| Bicarbonate SCHEMBL10453200 | 0.85 | CYP1A2 (0.46) | CYP2C9MAPTALDH1A1LMNAKMT2A | |
| Bicarbonate SCHEMBL10729677 | 0.84 | CYP1A2 (0.52) | CYP2C9MAPTALDH1A1LMNAHPGD | |
| Methacrylic Acid SCHEMBL29279778 | 0.84 | TLR4 (0.42) | CYP2C9MAPTALDH1A1LMNATLR4 | |
| Formaldehyde SCHEMBL27749193 | 0.84 | — | — | |
| Bicarbonate SCHEMBL6897174 | 0.83 | CYP1A2 (0.56) | CYP2C9HPGDCYP1A2 | |
| SCHEMBL9189218 | 0.81 | MAPT (0.51) | CYP2C9MAPTALDH1A1LMNAKMT2A | |
| SCHEMBL9189212 | 0.81 | MAPT (0.51) | CYP2C9MAPTALDH1A1LMNAKMT2A | |
| SCHEMBL223127 | 0.81 | LMNA (0.56) | CYP2C9MAPTALDH1A1LMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1068901-C | Refrigerating machine oil composition and refrigeration and compressor using refrigerating machine oil composition | HITACHI LTD (JP) | 2001-07-25 | — | — | CN | disclosed |
| CN-1218105-A | Refrigerating machine oil composition and refrigeration and compressor using refrigerating machine oil composition | HITACHI LTD (JP) | 1999-06-02 | — | — | CN | disclosed |