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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 1/20 | 0.73 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.73 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | HBB | P68871 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 SCHEMBL792399 | 1.00 | — | — | |
| Bicarbonate SCHEMBL37341 | 1.00 | CA5A (0.73) | CA5ACA5BCA1CA2CA9 | |
| Bicarbonate SCHEMBL5451762 | 0.96 | CA5A (0.67) | CA5ACA5BCA1CA2CA9 | |
| Bicarbonate SCHEMBL28875779 | 0.96 | — | — | |
| Bicarbonate SCHEMBL7623012 | 0.96 | — | — | |
| Bicarbonate SCHEMBL2546787 | 0.96 | CA5A (0.67) | CA5ACA5BCA1CA2CA9 | |
| Bicarbonate SCHEMBL10821992 | 0.96 | — | — | |
| Bicarbonate SCHEMBL5451766 | 0.96 | CA5A (0.67) | CA5ACA5BCA1CA2CA9 | |
| Bicarbonate SCHEMBL27985234 | 0.96 | — | — | |
| Bicarbonate SCHEMBL11218048 | 0.92 | CA5A (0.61) | CA5ACA5BCA1CA2CA9 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1928451-A1 | METHODS FOR TREATING SUBSTANCE-RELATED DISORDERS | Janssen Pharmaceutica, N.V. (BE) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007018496-A1 | METHODS FOR TREATING SUBSTANCE-RELATED DISORDERS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2007-02-15 | — | — | WO | disclosed |
| US-20060088480-A1 | Oral composition for stabilization, (re)calcification and (re)mineralization of tooth enamel and dentine | BASIC ROBERT | 2006-04-27 | — | — | US | disclosed |
| EP-1620064-A1 | ORAL COMPOSITION FOR STABILIZATION,(RE)CALCIFICATION AND (RE)MINERALIZATION OF TOOTH ENAMEL AND DENTINE | Basic, Robert (HR) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004091564-A1 | ORAL COMPOSITION FOR STABILIZATION,(RE)CALCIFICATION AND (RE)MINERALIZATION OF TOOTH ENAMEL AND DENTINE | BASIC ROBERT (HR) | 2004-10-28 | — | — | WO | disclosed |
| EP-0370553-A2 | Basic metal-zeolite compositions, their preparation and use in base catalyzed reactions | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-05-30 | — | — | EP | disclosed |
| US-4417000-A | USING CARBON MONOXIDE AND H2 AND A TWO CATALYST SYSTEM | SHELL OIL COMPANY (US) | 1983-11-22 | — | — | US | disclosed |