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 | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL14245001 | 1.00 | HDAC1 (0.52) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Bicarbonate SCHEMBL9490608 | 1.00 | HDAC1 (0.52) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Bicarbonate SCHEMBL28420339 | 0.97 | CHRM1 (0.50) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Butane SCHEMBL28430205 | 0.94 | CHRM1 (0.48) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Isobutane SCHEMBL28426076 | 0.94 | CHRM1 (0.48) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Butane SCHEMBL28422656 | 0.94 | CHRM1 (0.48) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Bicarbonate SCHEMBL28428215 | 0.94 | CHRM1 (0.48) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Isobutane SCHEMBL28422639 | 0.94 | CHRM1 (0.48) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Bicarbonate SCHEMBL28420302 | 0.92 | CHRM1 (0.46) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Bicarbonate SCHEMBL28425554 | 0.92 | CHRM1 (0.46) | HDAC1HDAC2CHRM1AKR1A1CHRM3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1047684-B1 | SUBSTITUTED ALPHA,BETA-ANELLATED BUTYROLACTONES | BAYER AG (DE) | 2002-10-02 | — | — | EP | disclosed |
| EP-1047684-A1 | SUBSTITUTED ALPHA,BETA-ANELLATED BUTYROLACTONES | BAYER AG (DE) | 2000-11-02 | — | — | EP | disclosed |
| EP-0991626-A2 | PYRIMIDIN-2,4,6-TRION DERIVATIVES, METHOD FOR PRODUCING THE SAME AND MEDICINAL PRODUCTS CONTAINING THESE COMPOUNDS | Roche Diagnostics GmbH (DE) | 2000-04-12 | — | — | EP | disclosed |
| WO-1999036416-A1 | SUBSTITUTED α,β-ANELLATED BUTYROLACTONES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-07-22 | — | — | WO | disclosed |
| WO-1998058915-A2 | PYRIMIDIN-2,4,6-TRION DERIVATIVES AND THEIR USE AS METALLOPROTEASE-INHIBITORS | ROCHE DIAGNOSTICS GMBH (DE) | 1998-12-30 | — | — | WO | disclosed |