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 | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 2/20 | 0.45 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL92707 | 0.92 | MAOA (0.56) | MAOAMAOBKDM4EALDH1A1METAP1 | |
| SCHEMBL29389300 | 0.92 | MAOA (0.56) | MAOAMAOBKDM4EALDH1A1METAP1 | |
| SCHEMBL31716020 | 0.78 | ALDH1A1 (0.55) | MAOAMAOBKDM4EALDH1A1APP | |
| SCHEMBL22694433 | 0.78 | MAOA (0.47) | MAOAMAOBKDM4EALDH1A1METAP1 | |
| SCHEMBL27845960 | 0.78 | MAOA (0.47) | MAOAMAOBKDM4EALDH1A1METAP1 | |
| SCHEMBL20352582 | 0.77 | MAOA (0.45) | MAOAMAOBKDM4EALDH1A1METAP1 | |
| Bicarbonate SCHEMBL10870596 | 0.76 | TDP1 (0.75) | MAOAMAOBKDM4EALDH1A1TDP1 | |
| SCHEMBL30017448 | 0.76 | ALDH1A1 (0.49) | MAOAMAOBKDM4EALDH1A1APP | |
| SCHEMBL28096085 | 0.76 | SCN9A (0.52) | MAOAMAOBKDM4EMETAP1PDE4A | |
| SCHEMBL8128619 | 0.75 | DCPS (0.63) | MAOAMAOBKDM4EALDH1A1METAP1 |
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-0071168-B1 | WATER-SOLUBLE DISAZO COMPOUNDS AND BIS-(AMINO-PHENOXY)-ETHANE COMPOUNDS WITH FIBRE REACTIVE GROUPS AS TETRAZO COMPOUNDS, PROCESS FOR THE PREPARATION OF THESE COMPOUNDS AND THE USE OF THE DISAZO COMPOUNDS AS DYESTUFFS | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-01-30 | — | — | EP | disclosed |
| EP-0071168-A2 | Water-soluble disazo compounds and bis-(amino-phenoxy)-ethane compounds with fibre reactive groups as tetrazo compounds, process for the preparation of these compounds and the use of the disazo compounds as dyestuffs | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-02-09 | — | — | EP | disclosed |