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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.55 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.55 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
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 SCHEMBL4423930 | 0.90 | KMT2A (0.62) | KMT2AGAARAB9ASIGMAR1ALDH1A1 | |
| Bicarbonate SCHEMBL4435414 | 0.89 | KMT2A (0.61) | KMT2AGAATAS1R3TAS1R1TAS1R2 | |
| Bicarbonate SCHEMBL4431556 | 0.89 | KMT2A (0.60) | KMT2ARAB9ASIGMAR1ALDH1A1SMN1; SMN2 | |
| Bicarbonate SCHEMBL4422720 | 0.89 | KMT2A (0.60) | KMT2ARAB9ASIGMAR1ALDH1A1SMN1; SMN2 | |
| Bicarbonate SCHEMBL7612864 | 0.89 | KMT2A (0.80) | KMT2AGAATAS1R3TAS1R1TAS1R2 | |
| Bicarbonate SCHEMBL4423951 | 0.88 | KMT2A (0.60) | KMT2AGAATAS1R3TAS1R1TAS1R2 | |
| Bicarbonate SCHEMBL4431534 | 0.87 | KMT2A (0.59) | KMT2AGAATAS1R3TAS1R1TAS1R2 | |
| Bicarbonate SCHEMBL4432363 | 0.87 | KMT2A (0.59) | KMT2AGAATAS1R3TAS1R1TAS1R2 | |
| Bicarbonate SCHEMBL4435106 | 0.87 | KMT2A (0.55) | KMT2AGAATAS1R3TAS1R1TAS1R2 | |
| Bicarbonate SCHEMBL4428857 | 0.86 | KMT2A (0.51) | KMT2AGAATAS1R3TAS1R1TAS1R2 |
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 3 patents. 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 |
| EP-0741700-A1 | 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS | BAYER AG (DE) | 1996-11-13 | — | — | EP | disclosed |
| WO-1995020572-A1 | 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1995-08-03 | — | — | WO | disclosed |