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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 4/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CFB | P00751 | 4/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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) | POLBEPHX2SMN1; SMN2KDM4EALDH1A1 | |
| Bicarbonate SCHEMBL8017378 | 0.85 | EPHX2 (0.40) | POLBEPHX2KDM4EALDH1A1NPSR1 | |
| Bicarbonate SCHEMBL8015563 | 0.84 | GRM1 (0.37) | POLBEPHX2SMN1; SMN2KDM4EALDH1A1 | |
| Bicarbonate SCHEMBL8005996 | 0.83 | EPHX2 (0.36) | POLBEPHX2TSHRKDM4EALDH1A1 | |
| Bicarbonate SCHEMBL8022789 | 0.81 | EPHX2 (0.45) | EPHX2KDM4EALDH1A1NPSR1GAA | |
| SCHEMBL8314893 | 0.79 | SERPINE1 (0.38) | POLBEPHX2SMN1; SMN2TSHRKDM4E | |
| SCHEMBL8015561 | 0.78 | LTC4S (0.36) | POLBKDM4EGAAMAPTCFB | |
| SCHEMBL8019597 | 0.78 | KDM4E (0.35) | POLBKDM4EALDH1A1GAAMAPT | |
| Bicarbonate SCHEMBL8019371 | 0.77 | EPHX2 (0.34) | POLBEPHX2KDM4ENPSR1GAA | |
| Bicarbonate SCHEMBL8015583 | 0.76 | KDM4E (0.35) | POLBEPHX2KDM4EALDH1A1NPSR1 |
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 |