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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10310272 | 0.91 | ALDH1A1 (0.47) | ALDH1A1GAAMAPTHTTSMN1; SMN2 | |
| Bicarbonate SCHEMBL27358699 | 0.82 | CYP2D6 (0.56) | ALDH1A1GAASMN1; SMN2LMNACA2 | |
| Carbamic Acid SCHEMBL31088316 | 0.80 | GAA (0.58) | ALDH1A1GAAMAPTHTTSMN1; SMN2 | |
| SCHEMBL6929919 | 0.80 | RECQL (0.62) | ALDH1A1GAAMAPTHTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6557760 | 0.78 | KDM4E (0.58) | GAAMAPTNAMPTKDM4E | |
| Iodide SCHEMBL20524285 | 0.78 | RECQL (0.61) | ALDH1A1GAAMAPTHTTSMN1; SMN2 | |
| SCHEMBL11097818 | 0.78 | ALDH1A1 (0.51) | ALDH1A1GAAMAPTHTTSMN1; SMN2 | |
| SCHEMBL334662 | 0.77 | GAA (0.64) | ALDH1A1GAAMAPTHTTSMN1; SMN2 | |
| SCHEMBL30437853 | 0.77 | GAA (0.64) | ALDH1A1GAAMAPTHTTSMN1; SMN2 | |
| SCHEMBL10405358 | 0.77 | ALDH1A1 (0.58) | ALDH1A1GAAMAPTHTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4707478-A | ANTIPROTOZOA AGENTS | RORER PHARMACEUTICAL CORPORATION (US) | 1987-11-17 | — | — | US | disclosed |
| EP-0086775-A4 | HETEROCYCLIC AMIDINO SUBSTITUTED UREAS AND THEIR PHARMACEUTICAL USES. | RORER INTERNAT OVERSEAS INC (US) | 1984-09-05 | — | — | EP | disclosed |
| EP-0086775-A1 | HETEROCYCLIC AMIDINO SUBSTITUTED UREAS AND THEIR PHARMACEUTICAL USES | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1983-08-31 | — | — | EP | disclosed |
| WO-1983000627-A1 | HETEROCYCLIC AMIDINO SUBSTITUTED UREAS AND THEIR PHARMACEUTICAL USES | STUDT, WILLIAM, LYON | 1983-03-03 | — | — | WO | disclosed |