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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.61 |
| ▸ | CES1 | P23141 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | BACE1 | P56817 | 4/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | CTDSP1 | Q9GZU7 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28369464 | 0.91 | ESR2 (0.62) | CES2CES1RAB9ANPC1BACE1 | |
| SCHEMBL291776 | 0.91 | CA4 (0.68) | RAB9ANPC1BACE1ESR2ALDH1A1 | |
| Biphenyl SCHEMBL11784329 | 0.91 | CA4 (0.68) | RAB9ANPC1BACE1ESR2ALDH1A1 | |
| SCHEMBL17283658 | 0.91 | CA4 (0.68) | RAB9ANPC1BACE1ESR2ALDH1A1 | |
| SCHEMBL9152375 | 0.91 | CA4 (0.68) | RAB9ANPC1BACE1ESR2ALDH1A1 | |
| Formaldehyde SCHEMBL29051252 | 0.88 | BACE1 (0.60) | CES2CES1RAB9ANPC1BACE1 | |
| Water SCHEMBL3540832 | 0.88 | CA4 (0.65) | RAB9ANPC1BACE1ESR2ALDH1A1 | |
| SCHEMBL29220727 | 0.88 | CA4 (0.65) | RAB9ANPC1BACE1ESR2ALDH1A1 | |
| SCHEMBL28478235 | 0.88 | CA4 (0.65) | RAB9ANPC1BACE1ESR2ALDH1A1 | |
| Water SCHEMBL1023367 | 0.88 | CA4 (0.65) | RAB9ANPC1BACE1ESR2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106349110-A | Two-stage method and one-pot synthesis method for preparing aliphatic diisocyanate | 大东树脂化学股份有限公司 | 2017-01-25 | — | — | CN | disclosed |
| CN-106146832-A | Method for producing aliphatic amine dicarboxylic acid ester, aliphatic amine polycarboxylic acid ester and polyurea using diaryl carbonate | 大东树脂化学股份有限公司 | 2016-11-23 | — | — | CN | disclosed |