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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.54 |
| ▸ | CPB1 | P15086 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MGLL | Q99685 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.53 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL18428493 | 0.98 | HTR2A (0.56) | HTR2ACPB1KMT2AMGLLMEN1 | |
| SCHEMBL324342 | 0.98 | HTR2A (0.56) | HTR2ACPB1KMT2AMGLLMEN1 | |
| SCHEMBL3515355 | 0.91 | NPC1 (0.52) | HTR2ACPB1KMT2AMGLLMEN1 | |
| SCHEMBL439217 | 0.91 | NPC1 (0.52) | HTR2ACPB1KMT2AMGLLMEN1 | |
| SCHEMBL407216 | 0.91 | NPC1 (0.52) | HTR2ACPB1KMT2AMGLLMEN1 | |
| Acetic Acid SCHEMBL2762930 | 0.91 | HTR2A (0.51) | HTR2ACPB1KMT2AMGLLMEN1 | |
| SCHEMBL26883 | 0.89 | SLC18A3 (0.51) | HTR2ACPB1KMT2AMGLLMEN1 | |
| Bicarbonate SCHEMBL6612782 | 0.89 | SRD5A2 (0.65) | HTR2ACPB1KMT2AMGLLMEN1 | |
| SCHEMBL965420 | 0.88 | SRD5A2 (0.63) | HTR2ACPB1KMT2AMGLLMEN1 | |
| SCHEMBL3113279 | 0.88 | SRD5A2 (0.58) | HTR2ACPB1KMT2AMGLLMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0012366-A1 | 3,4-Diaza-bicyclo(4.1.0)hepten-2-ones-5, process for their preparation and therapeutical compositions containing them | BASF Aktiengesellschaft (DE) | 1980-06-25 | — | — | EP | disclosed |