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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10658213 | 0.93 | ALDH1A1 (0.56) | TSHRALDH1A1KDM4EPOLBSMN1; SMN2 | |
| SCHEMBL28121480 | 0.81 | TSHR (0.56) | TSHRALDH1A1KDM4EPOLBSMN1; SMN2 | |
| Bicarbonate SCHEMBL28513279 | 0.81 | ALDH1A1 (0.48) | TSHRALDH1A1KDM4EPOLBSMN1; SMN2 | |
| SCHEMBL10906552 | 0.79 | POLB (0.49) | TSHRALDH1A1KDM4EPOLBSMN1; SMN2 | |
| SCHEMBL30688875 | 0.77 | ALDH1A1 (0.45) | TSHRALDH1A1KDM4ESMN1; SMN2NPSR1 | |
| Allylthiourea SCHEMBL27561760 | 0.77 | TSHR (0.82) | TSHRALDH1A1KDM4EPOLBSMN1; SMN2 | |
| Bicarbonate SCHEMBL10653426 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KDM4ESMN1; SMN2MAPTGAA | |
| Acrylamide SCHEMBL27665941 | 0.75 | TSHR (0.58) | TSHRALDH1A1KDM4EPOLBSMN1; SMN2 | |
| Acetic Acid SCHEMBL28173566 | 0.73 | ALDH1A1 (0.45) | TSHRALDH1A1KDM4EPOLBSMN1; SMN2 | |
| SCHEMBL11362496 | 0.73 | ALDH1A1 (0.56) | TSHRALDH1A1KDM4EPOLBSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0176546-B1 | ISOTHIURONIUM SALTS | PEREMARTONI VEGYIPARI VALLALAT (HU) | 1988-03-02 | — | — | EP | disclosed |
| US-4710578-A | ANTITUMOR AGENTS, MITICIDES | PEREMARTONI VEGYIPARI VALLALAT (HU) | 1987-12-01 | — | — | US | disclosed |
| EP-0176546-A1 | ISOTHIURONIUM SALTS. | PEREMARTONI VEGYIPARI VALLALAT (HU) | 1986-04-09 | — | — | EP | disclosed |
| WO-1985004399-A1 | ISOTHIURONIUM SALTS | PEREMARTONI VEGYIPARI VÁLLALAT (HU) | 1985-10-10 | — | — | WO | disclosed |
| US-3960949-A | DIABETES | SCHERING AKTIENGESELLSCHAFT (DT) | 1976-06-01 | — | — | US | disclosed |