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 | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.53 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | XIAP | P98170 | 1/20 | 0.50 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 3/20 | 0.47 |
| ▸ | ANPEP | P15144 | 1/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3401432 | 0.89 | EPHX1 (0.67) | EPHX1CSNK1EANPEPSIGMAR1SLC6A2 | |
| SCHEMBL172452 | 0.89 | EPHX1 (0.67) | EPHX1CSNK1EANPEPSIGMAR1SLC6A2 | |
| SCHEMBL14471186 | 0.89 | EPHX1 (0.67) | EPHX1CSNK1EANPEPSIGMAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL6659825 | 0.87 | EPHX1 (0.64) | EPHX1CSNK1EANPEPSIGMAR1SLC6A2 | |
| Bromide SCHEMBL6947335 | 0.87 | EPHX1 (0.64) | EPHX1CSNK1EANPEPSIGMAR1SLC6A2 | |
| SCHEMBL2736211 | 0.85 | EPHX1 (0.61) | EPHX1CSNK1EANPEPSIGMAR1SLC6A2 | |
| SCHEMBL9468396 | 0.79 | EPHX1 (0.52) | EPHX1CSNK1EANPEPSIGMAR1SLC6A2 | |
| SCHEMBL21469786 | 0.78 | EPHX1 (0.61) | EPHX1CSNK1EANPEPSIGMAR1SLC6A2 | |
| SCHEMBL3847568 | 0.78 | EPHX1 (0.61) | EPHX1CSNK1EANPEPSIGMAR1SLC6A2 | |
| SCHEMBL15638183 | 0.77 | ALPI (0.56) | EPHX1ALPIPKMPTGS1XIAP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100047841-A1 | SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF | UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION | 2010-02-25 | — | — | US | disclosed |
| WO-2008106080-A9 | SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2009-11-05 | — | — | WO | disclosed |
| WO-2008106080-A2 | SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2008-09-04 | — | — | 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-20100047841-A1 | SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF | XDH, XPA, TPX2 | EPHX1 1867/4885CSNK1E 2226/4885ALPI 706/4885 |
“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.