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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 11/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | WNT1 | P04628 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL8019312 | 0.92 | GRM1 (0.33) | GRM1POLBKDM4EMAPTEPHX2 | |
| Bicarbonate SCHEMBL8005963 | 0.84 | POLB (0.36) | POLBKDM4EMAPTEPHX2ALDH1A1 | |
| Bicarbonate SCHEMBL8022729 | 0.84 | EPHX2 (0.37) | POLBKDM4EMAPTEPHX2MEN1 | |
| Bicarbonate SCHEMBL8017378 | 0.83 | EPHX2 (0.40) | POLBKDM4EMAPTEPHX2ALDH1A1 | |
| Bicarbonate SCHEMBL8022789 | 0.82 | EPHX2 (0.45) | KDM4EEPHX2ALDH1A1HSD17B10KMT2A | |
| SCHEMBL8015561 | 0.80 | LTC4S (0.36) | POLBKDM4EMAPT | |
| SCHEMBL8019597 | 0.80 | KDM4E (0.35) | POLBKDM4EMAPTALDH1A1MEN1 | |
| SCHEMBL8311219 | 0.79 | CYP19A1 (0.40) | GRM1POLBKDM4EMAPTEPHX2 | |
| Bicarbonate SCHEMBL8019371 | 0.78 | EPHX2 (0.34) | POLBKDM4EMAPTEPHX2MEN1 | |
| Bicarbonate SCHEMBL8018120 | 0.77 | TAS1R3 (0.34) | POLBKDM4EMAPTEPHX2ALDH1A1 |
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-0773920-B1 | 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES | BAYER AG (DE) | 2000-01-26 | — | — | EP | disclosed |
| EP-0773920-A1 | 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES | BAYER AG (DE) | 1997-05-21 | — | — | EP | disclosed |
| WO-1996003366-A1 | 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-02-08 | — | — | WO | disclosed |