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 | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | UGT2B17 | O75795 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.33 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 SCHEMBL8005998 | 0.78 | EPHX2 (0.35) | P2RX7UGT2B17LMNAPOLBEPHX2 | |
| Bicarbonate SCHEMBL8017378 | 0.77 | EPHX2 (0.40) | P2RX7LMNAKDM4EPOLBMAPT | |
| Bicarbonate SCHEMBL8022789 | 0.76 | EPHX2 (0.45) | NPC1LMNARAB9AKDM4EEPHX2 | |
| Bicarbonate SCHEMBL8019387 | 0.74 | P2RX7 (0.36) | P2RX7KDM4EPOLBMAPTRECQL | |
| SCHEMBL8018140 | 0.73 | P2RX7 (0.36) | P2RX7KDM4EPOLBMAPTEPHX2 | |
| Bicarbonate SCHEMBL8019208 | 0.72 | TAS1R3 (0.42) | KDM4EPOLBMAPTEPHX2TAS1R3 | |
| Bicarbonate SCHEMBL8006367 | 0.72 | TAS1R3 (0.43) | KDM4EPOLBMAPTEPHX2TAS1R3 | |
| Bicarbonate SCHEMBL8022729 | 0.72 | EPHX2 (0.37) | P2RX7NPC1RAB9AKDM4EPOLB | |
| SCHEMBL8022788 | 0.72 | GAA (0.43) | LMNASMN1; SMN2EPHX2TAS1R3TAS1R1 | |
| Bicarbonate SCHEMBL8018120 | 0.71 | TAS1R3 (0.34) | P2RX7NPC1RAB9ASMN1; SMN2KDM4E |
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 |