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 | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | APEX1 | P27695 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27747080 | 0.86 | KMT2A (0.52) | THRBTDP1APEX1KMT2AMEN1 | |
| SCHEMBL29355276 | 0.86 | KMT2A (0.56) | THRBTDP1APEX1KMT2AMEN1 | |
| SCHEMBL44942 | 0.86 | KMT2A (0.56) | THRBTDP1APEX1KMT2AMEN1 | |
| SCHEMBL38651343 | 0.84 | ALDH1A1 (0.52) | THRBTDP1APEX1MAPTKDM4E | |
| SCHEMBL2709809 | 0.84 | ALDH1A1 (0.52) | THRBTDP1APEX1MAPTKDM4E | |
| SCHEMBL18374553 | 0.83 | KMT2A (0.54) | THRBTDP1APEX1KMT2AMEN1 | |
| SCHEMBL30284924 | 0.83 | KMT2A (0.54) | THRBTDP1APEX1KMT2AMEN1 | |
| SCHEMBL22435811 | 0.83 | KMT2A (0.54) | THRBTDP1APEX1KMT2AMEN1 | |
| Lithium SCHEMBL30692876 | 0.83 | KMT2A (0.54) | THRBTDP1APEX1KMT2AMEN1 | |
| Boric Acid SCHEMBL28965678 | 0.81 | KMT2A (0.48) | THRBTDP1APEX1KMT2AMEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0935691-B1 | OPTICAL BRIGHTENING AGENT | COVION ORGANIC SEMICONDUCTORS (DE) | 2004-05-26 | — | — | EP | disclosed |
| EP-0676461-B1 | Spiro compounds and their application as electroluminescence materials | COVION ORGANIC SEMICONDUCTORS (DE) | 2002-08-14 | — | — | EP | disclosed |
| EP-0968175-B1 | SPIRO COMPOUNDS AND THE USE THEREOF | CELANESE VENTURES GMBH (DE) | 2001-12-12 | — | — | EP | disclosed |
| EP-0968175-A1 | SPIRO COMPOUNDS AND THE USE THEREOF | Aventis Research & Technologies GmbH & Co KG (DE) | 2000-01-05 | — | — | EP | disclosed |
| EP-0935691-A1 | OPTICAL BRIGHTENING AGENT | Aventis Research & Technologies GmbH & Co. KG (DE) | 1999-08-18 | — | — | EP | disclosed |
| WO-1998042655-A1 | SPIRO COMPOUNDS AND THE USE THEREOF | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) | 1998-10-01 | — | — | WO | disclosed |
| WO-1998018996-A1 | OPTICAL BRIGHTENING AGENT | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) | 1998-05-07 | — | — | WO | disclosed |
| EP-0676461-A2 | Spiro compounds and their application as electroluminescence materials | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-10-11 | — | — | EP | disclosed |