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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5445841 | 0.92 | KMT2A (0.40) | ALDH1A1KDM4EKMT2AALOX12MAPT | |
| Bicarbonate SCHEMBL10658527 | 0.89 | ALDH1A1 (0.43) | ALDH1A1KMT2AALOX12MAPTGAA | |
| Bicarbonate SCHEMBL10653426 | 0.85 | ALDH1A1 (0.46) | ALDH1A1KDM4EKMT2AALOX12MAPT | |
| SCHEMBL2108064 | 0.79 | SPHK1 (0.41) | KDM4EKMT2AEPHX1EPHX2 | |
| Bicarbonate SCHEMBL27363994 | 0.78 | MMP1 (0.40) | ALDH1A1KDM4EKMT2ATDP1MMP1 | |
| SCHEMBL9597959 | 0.78 | ALDH1A1 (0.46) | ALDH1A1KDM4EKMT2AALOX12MAPT | |
| SCHEMBL11727348 | 0.78 | SPHK1 (0.44) | KDM4EKMT2AEPHX1EPHX2 | |
| SCHEMBL11729895 | 0.78 | SPHK1 (0.44) | KDM4EKMT2AEPHX1EPHX2 | |
| SCHEMBL11727025 | 0.78 | SPHK1 (0.44) | KDM4EKMT2AEPHX1EPHX2 | |
| SCHEMBL11724194 | 0.78 | SPHK1 (0.44) | KDM4EKMT2AEPHX1EPHX2 |
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 |