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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.65 |
| ▸ | CA1 | P00915 | 15/20 | 0.62 |
| ▸ | CA2 | P00918 | 15/20 | 0.62 |
| ▸ | CA12 | O43570 | 11/20 | 0.62 |
| ▸ | CA9 | Q16790 | 11/20 | 0.62 |
| ▸ | CA4 | P22748 | 2/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.57 |
| ▸ | PTPN7 | P35236 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1517568 | 0.94 | KMT2A (0.66) | KMT2ACA1CA2CA12CA9 | |
| Hydrochloric Acid SCHEMBL2541364 | 0.93 | KMT2A (0.63) | KMT2ACA1CA2CA12CA9 | |
| Hydrochloric Acid SCHEMBL2433519 | 0.91 | KMT2A (0.61) | KMT2ACA1CA2CA12CA9 | |
| Sulfanilamide SCHEMBL4677354 | 0.88 | CA1 (0.70) | KMT2ACA1CA2CA12CA9 | |
| SCHEMBL27482936 | 0.87 | CA2 (0.81) | KMT2ACA1CA2CA12CA9 | |
| Bicarbonate SCHEMBL5659085 | 0.84 | TGM2 (0.54) | KMT2ACA1CA2CA12CA9 | |
| SCHEMBL358576 | 0.81 | CA1 (0.80) | KMT2ACA1CA2CA12CA9 | |
| SCHEMBL6990778 | 0.81 | KMT2A (0.74) | KMT2ACA1CA2CA12CA9 | |
| SCHEMBL9717022 | 0.81 | PLG (0.60) | KMT2ACA1CA2CA12CA9 | |
| SCHEMBL11514497 | 0.79 | TSHR (0.48) | KMT2ACA1CA2CA12CA9 |
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-7279473-B2 | Pyrazolopyridazine derivatives | SMITHKLINE BEECHAM CORPORATION (US) | 2007-10-09 | — | — | US | disclosed |
| EP-1463730-B1 | PYRAZOLOPYRIDAZINE DERIVATIVES | SMITHKLINE BEECHAM CORP (US) | 2006-04-19 | — | — | EP | disclosed |
| US-20050090507-A1 | Pyrazolopyridazine derivatves | SMITHKLINE BEECHAM CORPORATION | 2005-04-28 | — | — | US | disclosed |
| EP-1463730-A1 | PYRAZOLOPARIDAZINE DERIVATIVES | SmithKline Beecham Corporation (US) | 2004-10-06 | — | — | EP | disclosed |
| WO-2003051886-A1 | PYRAZOLOPYRIDAZINE DERIVATIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2003-06-26 | — | — | 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-20050090507-A1 | Pyrazolopyridazine derivatves | CDK4, CDK3, CDK8 | KMT2A 416/4885CA1 4590/4885CA2 3895/4885 |
“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.