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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 7/20 | 0.58 |
| ▸ | TAS1R1 | Q7RTX1 | 6/20 | 0.58 |
| ▸ | TAS1R2 | Q8TE23 | 4/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.47 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.47 |
| ▸ | CCR2 | P41597 | 1/20 | 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 SCHEMBL8556440 | 0.89 | TAS1R3 (0.57) | TAS1R3TAS1R1TAS1R2HTTTSHR | |
| Bicarbonate SCHEMBL8555858 | 0.89 | TAS1R3 (0.54) | TAS1R3TAS1R1TAS1R2KMT2AMEN1 | |
| Bicarbonate SCHEMBL4433301 | 0.86 | TAS1R3 (0.53) | TAS1R3TAS1R1TAS1R2KMT2AMEN1 | |
| Bicarbonate SCHEMBL4435145 | 0.86 | ALDH1A1 (0.62) | TAS1R3TAS1R1TAS1R2KMT2AMEN1 | |
| Bicarbonate SCHEMBL7622161 | 0.80 | SIGMAR1 (0.62) | KMT2AMEN1HTTSIGMAR1LMNA | |
| Bicarbonate SCHEMBL7615566 | 0.79 | SIGMAR1 (0.56) | KMT2ASIGMAR1LMNATRPV1ALDH1A1 | |
| Bicarbonate SCHEMBL7624086 | 0.79 | HPGD (0.56) | TAS1R3TAS1R1TAS1R2KMT2AMEN1 | |
| Bicarbonate SCHEMBL7620040 | 0.78 | SIGMAR1 (0.55) | KMT2AMEN1HTTSIGMAR1LMNA | |
| Bicarbonate SCHEMBL7620719 | 0.78 | TAS1R3 (0.63) | TAS1R3TAS1R1TAS1R2KMT2ASIGMAR1 | |
| Bicarbonate SCHEMBL7615737 | 0.75 | SIGMAR1 (0.60) | KMT2AMEN1HTTSIGMAR1LMNA |
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-0596298-B1 | 5-Spirosubstituted 1-H-3-aryl-pyrrolidin-2,4-dione derivatives as herbicides, insecticides and acaricides | BAYER AG (DE) | 2002-01-09 | — | — | EP | disclosed |
| EP-0596298-A2 | 5-Spirosubstituted 1-H-3-aryl-pyrrolidin-2,4-dione derivatives as herbicides, insecticides and acaricides | BAYER AG (DE) | 1994-05-11 | — | — | EP | disclosed |