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 | 3/20 | 0.80 |
| ▸ | RIPK1 | Q13546 | 5/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | RIPK3 | Q9Y572 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | WNT3A | P56704 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | ACP1 | P24666 | 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 SCHEMBL2307000 | 0.90 | DGAT1 (0.65) | DGAT1RIPK1RIPK3NPC1RAB9A | |
| Bicarbonate SCHEMBL2307458 | 0.89 | DGAT1 (0.63) | DGAT1RIPK1DYRK1ARIPK3NPC1 | |
| SCHEMBL1747978 | 0.89 | DGAT1 (1.00) | DGAT1RIPK1DYRK1ARIPK3WNT3A | |
| SCHEMBL12429029 | 0.89 | DGAT1 (1.00) | DGAT1RIPK1DYRK1ARIPK3WNT3A | |
| Bicarbonate SCHEMBL2308618 | 0.88 | DGAT1 (0.67) | DGAT1RIPK1RIPK3NPC1RAB9A | |
| Bicarbonate SCHEMBL2307502 | 0.87 | DGAT1 (0.63) | DGAT1RIPK1DYRK1ARIPK3NPC1 | |
| Bicarbonate SCHEMBL2311510 | 0.87 | DGAT1 (0.77) | DGAT1DYRK1ANPC1RAB9AALDH1A1 | |
| Bicarbonate SCHEMBL2310614 | 0.86 | DGAT1 (0.64) | DGAT1RIPK1DYRK1ARIPK3NPC1 | |
| Bicarbonate SCHEMBL2309088 | 0.86 | DGAT1 (0.66) | DGAT1DYRK1ANPC1RAB9AALDH1A1 | |
| SCHEMBL1747987 | 0.86 | DGAT1 (0.85) | DGAT1RIPK1DYRK1ARIPK3NPC1 |
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 |