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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.87 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.87 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | HTR6 | P50406 | 1/20 | 0.50 |
| ▸ | ESRRG | P62508 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
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 SCHEMBL19723102 | 1.00 | ESR1 (0.87) | ESR1ESR2CYP3A4ALDH1A1LMNA | |
| SCHEMBL27277 | 0.93 | ESR1 (1.00) | ESR1ESR2CYP3A4ALDH1A1LMNA | |
| SCHEMBL8031149 | 0.93 | ESR1 (1.00) | ESR1ESR2CYP3A4ALDH1A1LMNA | |
| Methane SCHEMBL16667289 | 0.91 | ESR1 (0.95) | ESR1ESR2CYP3A4ALDH1A1LMNA | |
| Phenol SCHEMBL29851136 | 0.91 | ESR1 (0.95) | ESR1ESR2CYP3A4ALDH1A1LMNA | |
| Phenol SCHEMBL8987629 | 0.89 | ESR1 (0.91) | ESR1ESR2CYP3A4ALDH1A1LMNA | |
| SCHEMBL23059478 | 0.87 | ESR1 (0.87) | ESR1ESR2CYP3A4ALDH1A1LMNA | |
| SCHEMBL5861516 | 0.87 | ESR1 (0.87) | ESR1ESR2CYP3A4ALDH1A1LMNA | |
| SCHEMBL22336095 | 0.87 | ESR1 (0.87) | ESR1ESR2CYP3A4ALDH1A1LMNA | |
| Bicarbonate SCHEMBL21681661 | 0.87 | ESR1 (0.87) | ESR1ESR2CYP3A4ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| JP-60008356-A | — | — | None | — | — | JP | disclosed |
| EP-3467030-B1 | OPTICAL USE POLYCARBONATE RESIN COMPOSITION, METHOD FOR PRODUCING SAME, AND SPECTACLE LENS AND CAMERA LENS CONTAINING SAME | MITSUBISHI GAS CHEMICAL CO (JP) | 2022-02-23 | — | — | EP | disclosed |
| JP-S608356-A | RESIN COMPOSITION | SUMITOMO CHEM CO LTD | 1985-01-17 | — | — | JP | disclosed |