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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 7/20 | 0.52 |
| ▸ | LAP3 | P28838 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.37 |
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 SCHEMBL11204037 | 1.00 | FDPS (0.52) | FDPSLAP3MMP1MMP2CA12 | |
| SCHEMBL1563643 | 0.91 | FDPS (0.60) | FDPSLAP3MMP1MMP2CA12 | |
| SCHEMBL10942234 | 0.88 | FDPS (0.57) | FDPSLAP3MMP1MMP2CA12 | |
| Trimethylammonium SCHEMBL8199144 | 0.83 | FDPS (0.52) | FDPSLAP3MMP1MMP2CA12 | |
| SCHEMBL13713751 | 0.78 | FDPS (0.52) | FDPSLAP3MMP1MMP2CA12 | |
| Bicarbonate SCHEMBL10860019 | 0.76 | LAP3 (0.44) | FDPSLAP3MMP1MMP2CA12 | |
| Bicarbonate SCHEMBL11207555 | 0.76 | LAP3 (0.44) | FDPSLAP3MMP1MMP2CA12 | |
| Bicarbonate SCHEMBL10594727 | 0.76 | LAP3 (0.44) | FDPSLAP3MMP1MMP2CA12 | |
| SCHEMBL20610006 | 0.74 | SLC1A3 (0.52) | FDPSLAP3CA2FOLH1TDP1 | |
| SCHEMBL7519888 | 0.72 | FDPS (0.46) | FDPSLAP3MMP1MMP2CA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0401243-A1 | MEDICINAL PREPARATIONS CHARACTERIZED BY A COMBINATION OF CYTOSTATIC AGENTS, HORMONAL THERAPEUTIC AGENTS AND PHOSPHONE DERIVATIVES. | HENKEL KGAA (DE) | 1990-12-12 | — | — | EP | claimed |
| WO-1989007453-A1 | MEDICINAL PREPARATIONS CHARACTERIZED BY A COMBINATION OF CYTOSTATIC AGENTS, HORMONAL THERAPEUTIC AGENTS AND PHOSPHONE DERIVATIVES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1989-08-24 | — | — | WO | claimed |
| EP-0401243-A1 | MEDICINAL PREPARATIONS CHARACTERIZED BY A COMBINATION OF CYTOSTATIC AGENTS, HORMONAL THERAPEUTIC AGENTS AND PHOSPHONE DERIVATIVES. | HENKEL KGAA (DE) | 1990-12-12 | — | — | EP | disclosed |
| WO-1989007453-A1 | MEDICINAL PREPARATIONS CHARACTERIZED BY A COMBINATION OF CYTOSTATIC AGENTS, HORMONAL THERAPEUTIC AGENTS AND PHOSPHONE DERIVATIVES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1989-08-24 | — | — | WO | disclosed |