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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 2/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 SCHEMBL4422720 | 0.99 | KMT2A (0.60) | KMT2AALDH1A1HPGDL3MBTL1ATM | |
| Bicarbonate SCHEMBL4431556 | 0.99 | KMT2A (0.60) | KMT2AALDH1A1HPGDL3MBTL1ATM | |
| Bicarbonate SCHEMBL4426525 | 0.90 | KMT2A (0.63) | KMT2AALDH1A1HPGDL3MBTL1ATM | |
| Bicarbonate SCHEMBL4435414 | 0.89 | KMT2A (0.61) | KMT2AALDH1A1HPGDL3MBTL1ATM | |
| Bicarbonate SCHEMBL4428857 | 0.89 | KMT2A (0.51) | KMT2AALDH1A1HPGDL3MBTL1ATM | |
| Bicarbonate SCHEMBL4423951 | 0.88 | KMT2A (0.60) | KMT2AALDH1A1HPGDL3MBTL1SIGMAR1 | |
| Bicarbonate SCHEMBL4432363 | 0.87 | KMT2A (0.59) | KMT2AALDH1A1HPGDL3MBTL1ATM | |
| Bicarbonate SCHEMBL4431534 | 0.87 | KMT2A (0.59) | KMT2AALDH1A1HPGDL3MBTL1SIGMAR1 | |
| Bicarbonate SCHEMBL4423929 | 0.86 | TAS1R3 (0.54) | KMT2AALDH1A1HPGDATMKDM4E | |
| Bicarbonate SCHEMBL9094313 | 0.85 | KMT2A (0.46) | KMT2AALDH1A1HPGDL3MBTL1ATM |
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-0741700-B1 | 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS | BAYER CROPSCIENCE AG (DE) | 2009-10-07 | — | — | EP | disclosed |