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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.66 |
| ▸ | LMNA | P02545 | 5/20 | 0.66 |
| ▸ | HPGD | P15428 | 4/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | TOP2A | P11388 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | CASP9 | P55211 | 1/20 | 0.47 |
| ▸ | BAX | Q07812 | 1/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1915366 | 0.95 | ALDH1A1 (0.61) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL30615686 | 0.95 | ALDH1A1 (0.61) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| Bicarbonate SCHEMBL10377652 | 0.84 | ALDH1A1 (0.67) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL10655744 | 0.82 | KDM4E (0.47) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL8881120 | 0.81 | ALDH1A1 (0.55) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL14585956 | 0.81 | ALDH1A1 (0.48) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| Bicarbonate SCHEMBL11114446 | 0.81 | KDM4E (0.52) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL20286630 | 0.81 | KCNH2 (0.48) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL14615698 | 0.81 | KDM4E (0.51) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL14585959 | 0.81 | KDM4E (0.51) | KDM4EALDH1A1LMNAHPGDHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0202493-A1 | Process for the preparation of 5-fluorotoluene-2,4-disulfochloride | BAYER AG (DE) | 1986-11-26 | — | — | EP | disclosed |
| EP-0114604-B1 | NUCLEUS HALOGENATED 3-FLUOROTOLUENES AND PROCESS FOR THEIR PREPARATION | BAYER AG (DE) | 1986-04-30 | — | — | EP | disclosed |
| EP-0114604-A1 | Nucleus halogenated 3-fluorotoluenes and process for their preparation | BAYER AG (DE) | 1984-08-01 | — | — | EP | disclosed |