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 | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.60 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
| ▸ | DHODH | Q02127 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 2/20 | 0.47 |
| ▸ | MMP12 | P39900 | 1/20 | 0.47 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | PLK1 | P53350 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 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 SCHEMBL29125500 | 1.00 | PTGS2 (0.60) | PTGS2HAO1MAPTSMN1; SMN2AKR1C3 | |
| SCHEMBL403028 | 0.91 | PTGS2 (0.63) | PTGS2HAO1ALDH1A3MMP3NPC1 | |
| SCHEMBL17283465 | 0.91 | PTGS2 (0.63) | PTGS2HAO1ALDH1A3MMP3NPC1 | |
| Hydrogen Sulfide SCHEMBL19086306 | 0.88 | PTGS2 (0.61) | PTGS2HAO1DHODHALDH1A3MMP3 | |
| SCHEMBL51897 | 0.84 | RAB9A (0.60) | PTGS2HAO1MAPTSMN1; SMN2AKR1C3 | |
| Isophthalic Acid SCHEMBL28170073 | 0.83 | KMO (0.59) | PTGS2HAO1MAPTSMN1; SMN2AKR1C3 | |
| Biphenyl SCHEMBL27610807 | 0.82 | PTGS2 (0.55) | PTGS2HAO1DHODHMMP13MMP12 | |
| SCHEMBL27299439 | 0.82 | PTGS2 (0.55) | PTGS2MAPTSMN1; SMN2DHODHALDH1A3 | |
| SCHEMBL3640502 | 0.80 | HAO1 (0.61) | HAO1SMN1; SMN2MMP13MMP12MMP2 | |
| SCHEMBL10300271 | 0.80 | ALDH1A1 (0.50) | PTGS2HAO1MMP13MMP12PLK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117024846-A | Method for degrading polycarbonate by using phenol catalyst | 中国科学院青岛生物能源与过程研究所 | 2023-11-10 | — | — | CN | claimed |
| CN-117024846-A | Method for degrading polycarbonate by using phenol catalyst | 中国科学院青岛生物能源与过程研究所 | 2023-11-10 | — | — | CN | disclosed |
| 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 |