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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.52 |
| ▸ | RAB9A | P51151 | 7/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CSF1R | P07333 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1748153 | 0.87 | DGAT1 (0.59) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL5984327 | 0.87 | DGAT1 (0.59) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| Bicarbonate SCHEMBL2312392 | 0.87 | DGAT1 (0.41) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| Bicarbonate SCHEMBL2307118 | 0.86 | DGAT1 (0.46) | NPC1RAB9ASMN1; SMN2DGAT1CHEK2 | |
| Bicarbonate SCHEMBL2316045 | 0.85 | SMN1; SMN2 (0.56) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL1748064 | 0.83 | DGAT1 (0.48) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL1748065 | 0.83 | DGAT1 (0.41) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| Bicarbonate SCHEMBL2309476 | 0.79 | DGAT1 (0.63) | NPC1RAB9ASMN1; SMN2POLBCYP1A2 | |
| Bicarbonate SCHEMBL2306960 | 0.79 | HDAC11 (0.49) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| Bicarbonate SCHEMBL2310705 | 0.77 | DGAT1 (0.65) | NPC1RAB9APOLBCYP1A2DGAT1 |
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 |