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 | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.73 |
| ▸ | CHKA | P35790 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | HBB | P68871 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.42 |
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 SCHEMBL9762926 | 0.98 | CHRM5 (0.76) | CHRM5CHKAMAPTSMN1; SMN2ALDH1A1 | |
| Bicarbonate SCHEMBL28267252 | 0.95 | CHRM5 (0.73) | CHRM5CHKAMAPTSMN1; SMN2ALDH1A1 | |
| Acetic Acid SCHEMBL7780301 | 0.91 | CHRM5 (0.73) | CHRM5CHKAMAPTSMN1; SMN2ALDH1A1 | |
| Acetone SCHEMBL28700630 | 0.88 | CHRM5 (0.76) | CHRM5CHKAMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL11818290 | 0.88 | CHRM5 (0.94) | CHRM5CHKAMAPTSMN1; SMN2ALDH1A1 | |
| Bicarbonate SCHEMBL28588177 | 0.87 | CHRM5 (0.67) | CHRM5CHKAMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL28166029 | 0.86 | CHRM5 (0.73) | CHRM5CHKAMAPTSMN1; SMN2ALDH1A1 | |
| Benzene SCHEMBL28113160 | 0.85 | CHRM5 (0.89) | CHRM5CHKAMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL8664726 | 0.85 | CHRM5 (1.00) | CHRM5CHKAMAPTSMN1; SMN2ALDH1A1 | |
| Propionic Acid SCHEMBL28433613 | 0.85 | CHRM5 (0.64) | CHRM5CHKAMAPTSMN1; SMN2ALDH1A1 |
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-112939886-B | Near-infrared fluorescent probe capable of detecting content of GSTs (glutathione S-terminal transferase) as well as synthetic method and application thereof | 山西大学 | 2022-05-31 | — | — | CN | disclosed |
| CN-112939886-A | Near-infrared fluorescent probe capable of detecting content of GSTs (glutathione S-terminal transferase) as well as synthetic method and application thereof | 山西大学 | 2021-06-11 | — | — | CN | disclosed |