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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL3619002 | 0.96 | CA4 (0.41) | CA4TSHRALDH1A1CA1FAHD1 | |
| Bicarbonate SCHEMBL12498629 | 0.96 | CA4 (0.47) | CA4TSHRALDH1A1CA1FAHD1 | |
| Bicarbonate SCHEMBL27537101 | 0.89 | CA1 (0.44) | CA4TSHRALDH1A1CA1FAHD1 | |
| Acetic Acid SCHEMBL28160629 | 0.85 | CA1 (0.61) | CA4TSHRALDH1A1CA1FAHD1 | |
| Bicarbonate SCHEMBL28272483 | 0.85 | CA4 (0.50) | CA4TSHRALDH1A1CA1FAHD1 | |
| Bicarbonate SCHEMBL6170007 | 0.85 | CA4 (0.44) | CA4TSHRALDH1A1CA1FAHD1 | |
| Acetic Acid SCHEMBL28142748 | 0.81 | CA1 (0.64) | CA4TSHRALDH1A1CA1FAHD1 | |
| Acetic Acid SCHEMBL6063716 | 0.79 | CA1 (0.53) | CA4TSHRALDH1A1CA1FAHD1 | |
| Bicarbonate SCHEMBL2420 | 0.78 | — | — | |
| Bicarbonate SCHEMBL2558186 | 0.78 | CA4 (0.60) | CA4CA1FAHD1MEN1LDHA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190300484-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF REGORAFENIB | NATCO PHARMA LTD (IN) | 2019-10-03 | — | — | US | claimed |
| WO-2017125941-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF REGORAFENIB | NATCO PHARMA LTD (IN) | 2017-07-27 | — | — | WO | claimed |
| EP-1944303-B1 | PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME | EISAI R&D MAN CO LTD (JP) | 2013-08-21 | — | — | EP | disclosed |
| US-6573278-B2 | For therapy and prophylaxis of cerebral apoplexy and craniocerebral trauma | BAYER AKTIENGESELLSCHAFT (DE) | 2003-06-03 | — | — | US | disclosed |
| US-20020072529-A1 | Arylsulfonamides and analogues | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2002-06-13 | — | — | US | disclosed |
| EP-0486022-B1 | Naphthalene derivatives | EISAI CO LTD (JP) | 1996-02-07 | — | — | EP | disclosed |
| US-5319139-A | Antiinflammatory agents/non-steroidal/ | EISAI CO. LTD. (JP) | 1994-06-07 | — | — | US | disclosed |
| US-5262565-A | Antiinflammatory, antiarthritic, prostaglandin and leukotrienes inhibitors | EISAI CO., LTD. (JP) | 1993-11-16 | — | — | US | disclosed |
| US-5237091-A | Naphthalene derivatives | EISAI CO., LTD. (JP) | 1993-08-17 | — | — | US | disclosed |
| EP-0486022-A2 | Naphthalene derivatives | Eisai Co., Ltd. (JP) | 1992-05-20 | — | — | EP | 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 (2 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-20190300484-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF REGORAFENIB | KRAS, NRAS, HRAS | CA4 1958/4885TSHR 4144/4885ALDH1A1 182/4885 |
| US-20020072529-A1 | Arylsulfonamides and analogues | ARSA, PRSS12, SNCA | CA4 2987/4885TSHR 1031/4885ALDH1A1 3020/4885 |
“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.