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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TAS2R10 | Q9NYW0 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
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 SCHEMBL28141094 | 0.96 | CYP1A2 (0.46) | CYP1A2ALDH1A1KDM4ETDP1LMNA | |
| Oxalic Acid SCHEMBL1050279 | 0.94 | CYP1A2 (0.47) | CYP1A2ALDH1A1KDM4ETDP1LMNA | |
| Acetic Acid SCHEMBL6944290 | 0.94 | CYP1A2 (0.47) | CYP1A2ALDH1A1KDM4ETDP1LMNA | |
| Bicarbonate SCHEMBL315104 | 0.92 | LMNA (0.50) | CYP1A2ALDH1A1KDM4ETDP1LMNA | |
| Acetic Acid SCHEMBL27557382 | 0.92 | CYP1A2 (0.46) | CYP1A2ALDH1A1KDM4ETDP1LMNA | |
| Bicarbonate SCHEMBL315102 | 0.92 | LMNA (0.50) | CYP1A2ALDH1A1KDM4ETDP1LMNA | |
| Methyl Alcohol SCHEMBL27837342 | 0.91 | KDM4E (0.50) | CYP1A2ALDH1A1KDM4ETDP1LMNA | |
| Benzene SCHEMBL29130108 | 0.91 | KDM4E (0.54) | CYP1A2ALDH1A1KDM4ETDP1MEN1 | |
| Hydrogen Sulfide SCHEMBL5998579 | 0.91 | KDM4E (0.54) | CYP1A2ALDH1A1KDM4ETDP1MEN1 | |
| SCHEMBL81238 | 0.91 | KDM4E (0.54) | CYP1A2ALDH1A1KDM4ETDP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8093394-B2 | Derivatives of 5-thioxylopyranose and use of same for treatment | LABORATOIRES FOURNIER S.A. (FR) | 2012-01-10 | — | — | US | disclosed |
| EP-2066683-B1 | DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT | FOURNIER LAB SA (FR) | 2010-11-03 | — | — | EP | disclosed |
| US-20090182013-A1 | Derivatives of 5-Thioxylopyranose and Use of Same for Treatment | LABORATOIRES FOURNIER S.A. (FR) | 2009-07-16 | — | — | US | disclosed |
| EP-2066683-A1 | DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT | LABORATOIRES FOURNIER SA (FR) | 2009-06-10 | — | — | EP | disclosed |
| WO-2008037922-A1 | DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT | LABORATOIRES FOURNIER S.A. (FR) | 2008-04-03 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090182013-A1 | Derivatives of 5-Thioxylopyranose and Use of Same for Treatment | TPMT, PNPO, PPOX | CYP1A2 111/4885ALDH1A1 676/4885KDM4E 1220/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.