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 | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 4/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 4/20 | 0.32 |
| ▸ | TAS1R2 | Q8TE23 | 4/20 | 0.32 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.31 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.31 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.31 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 SCHEMBL8005996 | 0.92 | EPHX2 (0.36) | EPHX2HRH3MEN1KMT2AKDM4E | |
| Bicarbonate SCHEMBL8022729 | 0.91 | EPHX2 (0.37) | EPHX2HRH3NPC1RAB9AMEN1 | |
| Bicarbonate SCHEMBL8018120 | 0.87 | TAS1R3 (0.34) | EPHX2HRH3NPC1RAB9AMEN1 | |
| Bicarbonate SCHEMBL8021766 | 0.84 | EPHX2 (0.34) | EPHX2HRH3NPC1RAB9AMEN1 | |
| Bicarbonate SCHEMBL8019312 | 0.82 | GRM1 (0.33) | EPHX2NPC1RAB9AMEN1KMT2A | |
| Bicarbonate SCHEMBL8017378 | 0.81 | EPHX2 (0.40) | EPHX2HRH3KMT2AKDM4EPOLB | |
| SCHEMBL8022727 | 0.81 | KDM4E (0.35) | EPHX2HRH3KDM4EPOLBMAPT | |
| SCHEMBL8005992 | 0.81 | KDM4E (0.35) | EPHX2HRH3MEN1KMT2AKDM4E | |
| Bicarbonate SCHEMBL8022789 | 0.80 | EPHX2 (0.45) | EPHX2NPC1RAB9AKMT2AKDM4E | |
| Bicarbonate SCHEMBL8015336 | 0.80 | HPGD (0.32) | EPHX2 |
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 |