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 | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 8/20 | 0.50 |
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | PDE5A | O76074 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8184348 | 0.91 | HTT (0.49) | HTTSMN1; SMN2MAPTLMNAALDH1A1 | |
| Bicarbonate SCHEMBL7015314 | 0.90 | PDE5A (0.59) | HTTSMN1; SMN2MAPTLMNAALDH1A1 | |
| Bicarbonate SCHEMBL7011933 | 0.87 | PTPN12 (0.57) | HTTSMN1; SMN2MAPTLMNAALDH1A1 | |
| Bicarbonate SCHEMBL7016998 | 0.87 | PTPN12 (0.51) | HTTSMN1; SMN2MAPTLMNAALDH1A1 | |
| Bicarbonate SCHEMBL7018741 | 0.83 | KMT2A (0.51) | HTTSMN1; SMN2MAPTLMNAALDH1A1 | |
| Bicarbonate SCHEMBL7016458 | 0.83 | ALDH1A1 (0.60) | HTTSMN1; SMN2MAPTLMNAALDH1A1 | |
| Bicarbonate SCHEMBL7010796 | 0.81 | ALDH1A1 (0.49) | MAPTLMNAALDH1A1PDE5A | |
| SCHEMBL8179180 | 0.81 | PDE5A (0.54) | HTTSMN1; SMN2MAPTLMNAALDH1A1 | |
| Bicarbonate SCHEMBL7016035 | 0.81 | ALDH1A1 (0.42) | HTTSMN1; SMN2MAPTLMNAALDH1A1 | |
| Bicarbonate SCHEMBL7018633 | 0.81 | MAPT (0.46) | HTTSMN1; SMN2MAPTLMNAALDH1A1 |
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 |