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 | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 4/20 | 0.40 |
| ▸ | RPTOR | Q8N122 | 3/20 | 0.40 |
| ▸ | MLST8 | Q9BVC4 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.38 |
| ▸ | RELA | Q04206 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | STAT1 | P42224 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TTK | P33981 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 5/20 | 0.35 |
| ▸ | KIF5B | P33176 | 5/20 | 0.35 |
| ▸ | KDR | P35968 | 5/20 | 0.35 |
| ▸ | ETV6 | P41212 | 5/20 | 0.35 |
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 SCHEMBL17836506 | 0.89 | CHEK1 (0.43) | MTORRPTORMLST8NPC1NFKB1 | |
| Bicarbonate SCHEMBL17836447 | 0.89 | MTOR (0.40) | MTORRPTORMLST8NPC1NFKB1 | |
| Bicarbonate SCHEMBL17836460 | 0.87 | MTOR (0.41) | MTORRPTORMLST8NPC1NFKB1 | |
| SCHEMBL21193 | 0.87 | MTOR (0.40) | MTORRPTORMLST8NPC1NFKB1 | |
| SCHEMBL15007186 | 0.87 | MTOR (0.40) | MTORRPTORMLST8NPC1NFKB1 | |
| SCHEMBL15007185 | 0.87 | MTOR (0.40) | MTORRPTORMLST8NPC1NFKB1 | |
| SCHEMBL20938 | 0.85 | MTOR (0.39) | MTORRPTORMLST8NPC1NFKB1 | |
| Bicarbonate SCHEMBL17836456 | 0.79 | CHEK1 (0.43) | MTORRPTORMLST8NPC1NFKB1 | |
| Bicarbonate SCHEMBL17836393 | 0.79 | CHEK1 (0.47) | MTORRPTORMLST8NPC1NFKB1 | |
| Bicarbonate SCHEMBL17836448 | 0.79 | NPC1 (0.38) | MTORRPTORMLST8NPC1NFKB1 |
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-2608669-B1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MERCK SHARP & DOHME (US) | 2016-06-22 | — | — | EP | claimed |