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 | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8454508 | 0.89 | ALDH1A1 (0.44) | ALDH1A1HTTALOX5CYP1A2 | |
| SCHEMBL8454517 | 0.89 | ALDH1A1 (0.44) | ALDH1A1HTTALOX5CYP1A2 | |
| Bicarbonate SCHEMBL6470832 | 0.86 | CYP1A2 (0.42) | HSD11B1EPHX1ALOX5LMNACYP2D6 | |
| Bicarbonate SCHEMBL10453278 | 0.84 | CYP1A2 (0.39) | HSD11B1EPHX1ALOX5LMNACYP2D6 | |
| Bicarbonate SCHEMBL8370971 | 0.83 | CYP1A2 (0.43) | HSD11B1ALDH1A1EPHX1LMNAKDM4E | |
| Bicarbonate SCHEMBL10707225 | 0.83 | CYP1A2 (0.43) | HSD11B1ALDH1A1EPHX1LMNAKDM4E | |
| Bicarbonate SCHEMBL10453065 | 0.83 | — | — | |
| Bicarbonate SCHEMBL10431643 | 0.80 | CYP1A2 (0.61) | HTTLMNACYP2D6CYP1A2 | |
| Propionic Acid SCHEMBL19813178 | 0.79 | FFAR3 (0.50) | HSD11B1ALDH1A1EPHX1ALOX5LMNA | |
| Cyclohexane SCHEMBL28777359 | 0.79 | CYP1A2 (0.41) | HSD11B1EPHX1ALOX5LMNACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995011214-A1 | 4-TRIFLUOROMETHYLBENZENES AND THEIR USE IN LIQUID-CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 1995-04-27 | — | — | WO | disclosed |