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 | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 5/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 5/20 | 0.42 |
| ▸ | TAS1R2 | Q8TE23 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.36 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 SCHEMBL8006367 | 0.97 | TAS1R3 (0.43) | TAS1R3TAS1R1TAS1R2KDM4ENPSR1 | |
| Bicarbonate SCHEMBL8015738 | 0.92 | TAS1R3 (0.46) | TAS1R3TAS1R1TAS1R2KDM4ENPSR1 | |
| SCHEMBL8703244 | 0.87 | TAS1R3 (0.39) | TAS1R3TAS1R1TAS1R2KDM4ENPSR1 | |
| SCHEMBL8006364 | 0.85 | TAS1R3 (0.39) | TAS1R3TAS1R1TAS1R2KDM4ENPSR1 | |
| Bicarbonate SCHEMBL8022825 | 0.82 | TAS1R3 (0.39) | TAS1R3TAS1R1TAS1R2KDM4ENPSR1 | |
| SCHEMBL8022788 | 0.82 | GAA (0.43) | TAS1R3TAS1R1TAS1R2MEN1KMT2A | |
| Bicarbonate SCHEMBL8015583 | 0.82 | KDM4E (0.35) | TAS1R3TAS1R1TAS1R2KDM4ENPSR1 | |
| Bicarbonate SCHEMBL8017378 | 0.81 | EPHX2 (0.40) | TAS1R3TAS1R1TAS1R2KDM4ENPSR1 | |
| SCHEMBL8703071 | 0.81 | TAS1R3 (0.40) | TAS1R3TAS1R1TAS1R2KDM4ENPSR1 | |
| Bicarbonate SCHEMBL8019305 | 0.79 | KDM4E (0.38) | TAS1R3TAS1R1TAS1R2KDM4ENPSR1 |
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 |