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 | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | DHODH | Q02127 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
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 SCHEMBL2311135 | 0.89 | DGAT1 (0.44) | DGAT1RAB9ANPC1KMT2AKDM4E | |
| Bicarbonate SCHEMBL2314871 | 0.89 | DGAT1 (0.51) | DGAT1KMT2AMEN1HDAC6GABRP | |
| SCHEMBL2311873 | 0.88 | DGAT1 (0.61) | DGAT1DHODHKMT2AMEN1HDAC6 | |
| SCHEMBL2311773 | 0.88 | DGAT1 (0.61) | DGAT1DHODHKMT2AMEN1HDAC6 | |
| SCHEMBL2311876 | 0.88 | DGAT1 (0.61) | DGAT1DHODHKMT2AMEN1HDAC6 | |
| Bicarbonate SCHEMBL2307672 | 0.88 | NPC1 (0.47) | DGAT1RAB9ANPC1KMT2AHDAC6 | |
| Bicarbonate SCHEMBL2308538 | 0.87 | DGAT1 (0.44) | DGAT1RAB9AKMT2AMEN1ALDH1A1 | |
| Bicarbonate SCHEMBL2359226 | 0.83 | DGAT1 (0.42) | DGAT1RAB9ANPC1KMT2AHDAC6 | |
| Bicarbonate SCHEMBL2308797 | 0.83 | DGAT1 (0.49) | DGAT1KMT2AMEN1HDAC6HCRTR1 | |
| Bicarbonate SCHEMBL2307000 | 0.81 | DGAT1 (0.65) | DGAT1RAB9ANPC1KMT2AMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1633722-B1 | PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY | BAYER HEALTHCARE LLC (US) | 2011-08-03 | — | — | EP | claimed |