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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 5/20 | 0.40 |
| ▸ | APP | P05067 | 3/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | PDE5A | O76074 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 SCHEMBL7015972 | 0.94 | PDE5A (0.44) | PDE5A | |
| Bicarbonate SCHEMBL7017197 | 0.91 | ALDH1A1 (0.47) | MEN1KMT2AACHEAPPBCHE | |
| SCHEMBL8176737 | 0.91 | ALDH1A1 (0.39) | ACHEAPPBCHETSHRLMNA | |
| Bicarbonate SCHEMBL7015536 | 0.88 | ALDH1A1 (0.40) | KMT2AESR1LMNAMAPTPDE5A | |
| Bicarbonate SCHEMBL7021451 | 0.87 | ALDH1A1 (0.45) | LMNAMAPTPDE5AALDH1A1 | |
| Bicarbonate SCHEMBL7017171 | 0.86 | PDE10A (0.52) | KMT2AESR1LMNAMAPTF2 | |
| Bicarbonate SCHEMBL7015118 | 0.85 | ESR1 (0.42) | KMT2AESR1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL8184358 | 0.85 | PDE5A (0.45) | PDE5A | |
| Bicarbonate SCHEMBL7010852 | 0.85 | MAPT (0.47) | MEN1KMT2AACHEBCHETSHR | |
| Bicarbonate SCHEMBL7015968 | 0.85 | PTPN12 (0.46) | MEN1KMT2ATSHRLMNAMAPT |
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-0934321-B1 | THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT | MERCK PATENT GMBH (DE) | 2003-08-06 | — | — | EP | disclosed |
| EP-0934321-A1 | THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT | MERCK PATENT GmbH (DE) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998017668-A1 | THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT | MERCK PATENT GMBH (DE) | 1998-04-30 | — | — | WO | disclosed |