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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.49 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
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 SCHEMBL8557220 | 0.90 | NPC1 (0.58) | SIGMAR1LMNASMN1; SMN2NPC1RAB9A | |
| Bicarbonate SCHEMBL7622161 | 0.88 | SIGMAR1 (0.62) | GAASIGMAR1LMNASMN1; SMN2KMT2A | |
| Bicarbonate SCHEMBL8558307 | 0.88 | RAB9A (0.60) | SIGMAR1LMNASMN1; SMN2NPC1RAB9A | |
| Bicarbonate SCHEMBL8557197 | 0.88 | RAB9A (0.60) | SIGMAR1LMNASMN1; SMN2NPC1RAB9A | |
| Bicarbonate SCHEMBL8559853 | 0.88 | SIGMAR1 (0.47) | SIGMAR1LMNANPC1RAB9AKMT2A | |
| Bicarbonate SCHEMBL8555199 | 0.88 | SIGMAR1 (0.47) | SIGMAR1LMNANPC1RAB9AKMT2A | |
| Bicarbonate SCHEMBL7620865 | 0.87 | GAA (0.52) | GAATAS1R3TAS1R1TAS1R2LMNA | |
| Bicarbonate SCHEMBL8557364 | 0.86 | SIGMAR1 (0.47) | SIGMAR1LMNANPC1RAB9AKMT2A | |
| Bicarbonate SCHEMBL8556769 | 0.86 | SIGMAR1 (0.47) | GAASIGMAR1LMNANPC1RAB9A | |
| Bicarbonate SCHEMBL8554980 | 0.86 | SIGMAR1 (0.44) | GAASIGMAR1TAS1R3TAS1R1LMNA |
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-0668267-B1 | Substituted 1H-3-aryl-pyrrolidine-2,4-dione derivatives | BAYER AG (DE) | 1998-04-08 | — | — | EP | disclosed |
| EP-0668267-A1 | Substituted 1H-3-aryl-pyrrolidine-2,4-dione derivatives | BAYER AG (DE) | 1995-08-23 | — | — | EP | disclosed |