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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.49 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.49 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 2/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | LAP3 | P28838 | 1/20 | 0.46 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 SCHEMBL8762493 | 1.00 | KMT2A (0.49) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| Bicarbonate SCHEMBL8762375 | 1.00 | KMT2A (0.49) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL22402896 | 0.85 | ALDH1A1 (0.53) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL18134788 | 0.83 | LTA4H (0.56) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL27542790 | 0.82 | SLC1A1 (0.47) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL12634626 | 0.82 | ALDH1A1 (0.51) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL28101088 | 0.82 | ALDH1A1 (0.51) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL27565002 | 0.82 | SLC1A1 (0.47) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL8804399 | 0.81 | ALDH1A1 (0.53) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL1745793 | 0.81 | ALDH1A1 (0.53) | KMT2ASLC1A3SLC1A2SLC1A1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0612312-B1 | SYNTHESIS OF TRICYCLO [3.3.1.13,7]DEC-2-YL R-(R*,R*)-3-(1H-INDOL-3-YL-METHYL)-3-METHYL-4,9-DIOXO-7,11-DIPHENYL-10-OXA-2,5,8-TRIAZA-UNDECANATE | GOEDECKE AG (DE) | 1997-07-02 | — | — | EP | disclosed |
| EP-0542312-A1 | Synthesis of tricyclo (3.3.1.13,7)dec-2-yl R-(R*,R*)-3-(1H-indol-3-yl-methyl)-3-methyl-4,9-dioxo-7,11-diphenyl-10-oxa-2,5,8-triaza-undecanate | GÖDECKE AKTIENGESELLSCHAFT (DE) | 1993-05-19 | — | — | EP | disclosed |