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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
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 SCHEMBL7015536 | 0.93 | ALDH1A1 (0.40) | ALDH1A1LMNAMAPTALOX15PDE10A | |
| Bicarbonate SCHEMBL7021451 | 0.91 | ALDH1A1 (0.45) | ALDH1A1LMNAMAPTALOX15PDE5A | |
| SCHEMBL8179485 | 0.90 | ALDH1A1 (0.49) | ALDH1A1LMNAMAPTALOX15GAA | |
| Bicarbonate SCHEMBL7018286 | 0.87 | ALDH1A1 (0.57) | ALDH1A1LMNAMAPTALOX15GAA | |
| Bicarbonate SCHEMBL7020354 | 0.86 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTALOX15GAA | |
| Bicarbonate SCHEMBL7017359 | 0.86 | PTPN12 (0.47) | ALDH1A1LMNAMAPTALOX15GAA | |
| Bicarbonate SCHEMBL7017197 | 0.86 | ALDH1A1 (0.47) | ALDH1A1LMNAMAPTALOX15GAA | |
| Bicarbonate SCHEMBL7018680 | 0.85 | ESR1 (0.48) | PDE10AESR1PDE5ASSTR3 | |
| Bicarbonate SCHEMBL7018633 | 0.85 | MAPT (0.46) | ALDH1A1LMNAMAPTSMN1; SMN2HTT | |
| Bicarbonate SCHEMBL7013971 | 0.84 | PDE5A (0.44) | PDE10AESR1PDE5ASSTR3CHRM3 |
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 |