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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.44 |
| ▸ | PPARG | P37231 | 7/20 | 0.44 |
| ▸ | PPARD | Q03181 | 7/20 | 0.44 |
| ▸ | PPARA | Q07869 | 7/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.44 |
| ▸ | TLR2 | O60603 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | FABP4 | P15090 | 2/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 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 SCHEMBL9640643 | 1.00 | ALDH1A1 (0.46) | ALDH1A1ALOX5GPR84PPARGPPARD | |
| Bicarbonate SCHEMBL9639505 | 1.00 | ALDH1A1 (0.46) | ALDH1A1ALOX5GPR84PPARGPPARD | |
| SCHEMBL9849169 | 0.88 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1MEN1KMT2A | |
| SCHEMBL1456092 | 0.88 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1MEN1KMT2A | |
| SCHEMBL1456098 | 0.88 | — | — | |
| SCHEMBL8186591 | 0.88 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1MEN1KMT2A | |
| Bromide SCHEMBL15201917 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TSHRTDP1MEN1KMT2A | |
| SCHEMBL3921476 | 0.85 | — | — | |
| SCHEMBL14124658 | 0.81 | GPR84 (0.61) | ALDH1A1ALOX5GPR84PPARGPPARD | |
| SCHEMBL7659076 | 0.77 | — | — |
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-3266473-A1 | ANTISEPTIC POLYMETHYL METHACRYLATE BONE CEMENT | Heraeus Medical GmbH (DE) | 2018-01-10 | — | — | EP | disclosed |
| EP-0308359-B1 | HEAT-CURABLE DENTAL MATERIALS | Degussa Aktiengesellschaft (DE) | 1992-08-12 | — | — | EP | disclosed |