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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.59 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.59 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.59 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
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 SCHEMBL8744851 | 0.98 | TAS1R3 (0.56) | TAS1R3TAS1R1TAS1R2EPHX2LMNA | |
| Bicarbonate SCHEMBL8744799 | 0.92 | KMT2A (0.49) | TAS1R3TAS1R1TAS1R2EPHX2LMNA | |
| Bicarbonate SCHEMBL6990057 | 0.89 | NPC1 (0.56) | TAS1R3TAS1R1TAS1R2EPHX2LMNA | |
| Bicarbonate SCHEMBL7090824 | 0.89 | NPC1 (0.56) | TAS1R3TAS1R1TAS1R2EPHX2LMNA | |
| Bicarbonate SCHEMBL6997216 | 0.88 | NPC1 (0.54) | TAS1R3TAS1R1TAS1R2EPHX2LMNA | |
| Bicarbonate SCHEMBL7615552 | 0.87 | EPHX2 (0.46) | TAS1R3TAS1R1TAS1R2EPHX2LMNA | |
| Bicarbonate SCHEMBL6998472 | 0.86 | EPHX2 (0.59) | EPHX2LMNAHPGDNPC1RAB9A | |
| Bicarbonate SCHEMBL7000575 | 0.86 | EPHX2 (0.59) | EPHX2LMNAHPGDNPC1RAB9A | |
| Bicarbonate SCHEMBL7624529 | 0.85 | TAS1R3 (0.43) | TAS1R3TAS1R1TAS1R2EPHX2LMNA | |
| Bicarbonate SCHEMBL7615153 | 0.84 | KMT2A (0.42) | TAS1R3TAS1R1TAS1R2EPHX2LMNA |
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-0456063-B1 | 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives | BAYER AG (DE) | 1997-01-22 | — | — | EP | disclosed |
| EP-0456063-A2 | 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives | BAYER AG (DE) | 1991-11-13 | — | — | EP | disclosed |