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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 2/20 | 0.44 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ALPG | P10696 | 1/20 | 0.32 |
| ▸ | CPT2 | P23786 | 1/20 | 0.32 |
| ▸ | CPT1A | P50416 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 SCHEMBL11740655 | 0.93 | TP53 (0.44) | BBOX1SLC22A16TP53CA1CA2 | |
| Acetic Acid SCHEMBL319664 | 0.90 | CA1 (0.50) | BBOX1SLC22A16TP53CA1CA2 | |
| Oxalic Acid SCHEMBL1052161 | 0.90 | BBOX1 (0.42) | BBOX1SLC22A16TP53CA1CA2 | |
| L-Lactic Acid SCHEMBL3820373 | 0.88 | BBOX1 (0.41) | BBOX1SLC22A16TP53CA1CA2 | |
| Bicarbonate SCHEMBL28072653 | 0.83 | TP53 (0.47) | BBOX1TP53CA1CA2ALDH1A1 | |
| SCHEMBL19858976 | 0.82 | — | — | |
| SCHEMBL144708 | 0.82 | — | — | |
| Bicarbonate SCHEMBL8018320 | 0.79 | TP53 (0.38) | BBOX1SLC22A16TP53CA1CA2 | |
| Acrylic Acid SCHEMBL3943063 | 0.79 | BBOX1 (0.35) | BBOX1SLC22A16ALDH1A1 | |
| Methacrylic Acid SCHEMBL3952323 | 0.79 | BBOX1 (0.35) | BBOX1SLC22A16CA1CA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1645555-B1 | A METHOD FOR PRODUCING 4-AMINODIPHENYLAMINE | JIANGSU SINORGCHEM TECH CO LTD (CN) | 2011-09-28 | — | — | EP | claimed |
| EP-1591438-B1 | A PROCESS FOR PREPARING 4-AMINODIPHENYLAMINE | SINORGCHEM CO SHANDONG (CN) | 2007-11-21 | — | — | EP | claimed |