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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TLR4 | O00206 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL10707225 | 1.00 | CYP1A2 (0.43) | CYP1A2TLR4CYP2C9MAPTALDH1A1 | |
| SCHEMBL9650391 | 0.92 | TLR4 (0.44) | CYP1A2TLR4CYP2C9MAPTALDH1A1 | |
| SCHEMBL3253256 | 0.89 | CYP1A2 (0.52) | CYP1A2TLR4CYP2C9ALDH1A1CA1 | |
| SCHEMBL4794855 | 0.89 | CYP1A2 (0.52) | CYP1A2TLR4CYP2C9ALDH1A1CA1 | |
| Bicarbonate SCHEMBL10431643 | 0.89 | CYP1A2 (0.61) | CYP1A2CYP2C9MAPTLMNAHPGD | |
| Bicarbonate SCHEMBL10729677 | 0.88 | CYP1A2 (0.52) | CYP1A2CYP2C9MAPTALDH1A1LMNA | |
| Bicarbonate SCHEMBL6897174 | 0.87 | CYP1A2 (0.56) | CYP1A2CYP2C9HSD11B1CA1CA2 | |
| SCHEMBL18659602 | 0.87 | CYP1A2 (0.48) | CYP1A2TLR4CYP2C9MAPTALDH1A1 | |
| Bicarbonate SCHEMBL5246082 | 0.87 | CYP1A2 (0.53) | CYP1A2CYP2C9MAPTHPGDEPHX1 | |
| Bicarbonate SCHEMBL10347504 | 0.87 | CYP1A2 (0.53) | CYP1A2CYP2C9MAPTHPGDEPHX1 |
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-0494368-B1 | Supertwist liquid crystal display | MERCK PATENT GMBH (DE) | 1999-01-20 | — | — | EP | disclosed |
| EP-0396959-A1 | Liquid crystal OMI-type display device | MERCK PATENT GmbH (DE) | 1990-11-14 | — | — | EP | disclosed |