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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 12/20 | 0.57 |
| ▸ | TAS1R1 | Q7RTX1 | 11/20 | 0.57 |
| ▸ | TAS1R2 | Q8TE23 | 9/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.48 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 SCHEMBL7614072 | 0.89 | TAS1R3 (0.58) | TAS1R3TAS1R1TAS1R2ALDH1A1HPGD | |
| Bicarbonate SCHEMBL7624086 | 0.88 | HPGD (0.56) | TAS1R3TAS1R1TAS1R2ALDH1A1HPGD | |
| Bicarbonate SCHEMBL4435145 | 0.85 | ALDH1A1 (0.62) | TAS1R3TAS1R1TAS1R2ALDH1A1HPGD | |
| Bicarbonate SCHEMBL8557220 | 0.85 | NPC1 (0.58) | HPGDLMNA | |
| Bicarbonate SCHEMBL8558307 | 0.84 | RAB9A (0.60) | HPGDLMNA | |
| Bicarbonate SCHEMBL8557197 | 0.84 | RAB9A (0.60) | HPGDLMNA | |
| Bicarbonate SCHEMBL8555858 | 0.83 | TAS1R3 (0.54) | TAS1R3TAS1R1TAS1R2ALDH1A1HPGD | |
| Bicarbonate SCHEMBL8554569 | 0.80 | GAA (0.50) | TAS1R3TAS1R1TAS1R2LMNA | |
| Bicarbonate SCHEMBL8554980 | 0.80 | SIGMAR1 (0.44) | TAS1R3TAS1R1LMNA | |
| Bicarbonate SCHEMBL8555157 | 0.79 | NPC1 (0.45) | HPGDLMNA |
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 |