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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PYGL | P06737 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Cyanide SCHEMBL27411534 | 0.82 | ALDH1A1 (0.54) | KMT2AALDH1A1GAANPSR1MEN1 | |
| Bicarbonate SCHEMBL7620719 | 0.75 | TAS1R3 (0.63) | KMT2ASIGMAR1TAS1R3TAS1R1TAS1R2 | |
| Bicarbonate SCHEMBL9047972 | 0.74 | KMT2A (0.57) | KMT2ASIGMAR1ATMAKR1B1ALDH1A1 | |
| Bicarbonate SCHEMBL9046804 | 0.72 | TAS1R3 (0.38) | KMT2AGAANPSR1MEN1EPHX2 | |
| Bicarbonate SCHEMBL7612864 | 0.71 | KMT2A (0.80) | KMT2ASIGMAR1AKR1B1ALDH1A1GAA | |
| SCHEMBL27440934 | 0.71 | SIGMAR1 (0.50) | KMT2ASIGMAR1ALDH1A1HTTMEN1 | |
| Bicarbonate SCHEMBL9044829 | 0.71 | LMNA (0.42) | KMT2AGAAHTTMEN1RAB9A | |
| Bicarbonate SCHEMBL7622727 | 0.70 | KMT2A (0.63) | KMT2ASIGMAR1ATMAKR1B1ALDH1A1 | |
| Bicarbonate SCHEMBL7619296 | 0.69 | KMT2A (0.76) | KMT2ASIGMAR1ATMAKR1B1ALDH1A1 | |
| Bicarbonate SCHEMBL7619163 | 0.69 | KMT2A (0.76) | KMT2ASIGMAR1AKR1B1ALDH1A1EPHX2 |
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-0706527-A1 | SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS | BAYER AG (DE) | 1996-04-17 | — | — | EP | disclosed |