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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
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 SCHEMBL6997209 | 0.95 | CHRM4 (0.40) | SMN1; SMN2ALDH1A1LMNAHTTGAA | |
| SCHEMBL6710400 | 0.91 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1LMNAHTTGAA | |
| SCHEMBL6763958 | 0.90 | SMN1; SMN2 (0.42) | SMN1; SMN2ALDH1A1LMNAHTTGAA | |
| SCHEMBL6712247 | 0.88 | SMN1; SMN2 (0.43) | SMN1; SMN2ALDH1A1LMNAGAAKMT2A | |
| Bicarbonate SCHEMBL7006745 | 0.87 | PDE5A (0.37) | GAAPDE5A | |
| SCHEMBL6710529 | 0.86 | ALDH1A1 (0.40) | SMN1; SMN2ALDH1A1LMNAGAAKMT2A | |
| SCHEMBL6763686 | 0.86 | PDE4A (0.41) | SMN1; SMN2ALDH1A1LMNAGAAKMT2A | |
| SCHEMBL6707563 | 0.86 | SMN1; SMN2 (0.40) | SMN1; SMN2ALDH1A1LMNAGAAKMT2A | |
| SCHEMBL6706976 | 0.85 | CHRM4 (0.38) | SMN1; SMN2ALDH1A1LMNAGAAKMT2A | |
| Bicarbonate SCHEMBL7001344 | 0.83 | PDE5A (0.43) | PDE5A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1339410-A1 | USE OF PYRAZOLO 4,3-D]PYRIMIDINES | MERCK PATENT GmbH (DE) | 2003-09-03 | — | — | EP | disclosed |
| EP-1210349-B1 | PYRAZOLO 4,3-d]PYRIMIDINES | MERCK PATENT GMBH (DE) | 2003-01-29 | — | — | EP | disclosed |
| WO-2002045716-A1 | USE OF PYRAZOLO[4,3-D]PYRIMIDINES | MERCK PATENT GMBH (DE) | 2002-06-13 | — | — | WO | disclosed |