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 | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | APP | P05067 | 5/20 | 0.41 |
| ▸ | ACHE | P22303 | 4/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 SCHEMBL7016839 | 0.92 | ESR1 (0.45) | ESR1PDE5A | |
| SCHEMBL8179863 | 0.90 | ESR1 (0.42) | ESR1MEN1KMT2AAPPACHE | |
| Bicarbonate SCHEMBL7017197 | 0.86 | ALDH1A1 (0.47) | MEN1KMT2AAPPACHEBCHE | |
| Bicarbonate SCHEMBL7018680 | 0.86 | ESR1 (0.48) | ESR1PDE5A | |
| Bicarbonate SCHEMBL7016951 | 0.85 | PDE5A (0.54) | ESR1F2PDE5ALMNATSHR | |
| Bicarbonate SCHEMBL7016772 | 0.84 | MEN1 (0.42) | ESR1MEN1KMT2AAPPACHE | |
| Bicarbonate SCHEMBL7010852 | 0.84 | MAPT (0.47) | MEN1KMT2AACHEBCHEF2 | |
| Bicarbonate SCHEMBL7019142 | 0.84 | ESR1 (0.48) | ESR1F2KDM4EHPGDPDE5A | |
| Bicarbonate SCHEMBL7014415 | 0.83 | ACHE (0.45) | MEN1KMT2AAPPACHEBCHE | |
| SCHEMBL8184351 | 0.83 | PDE5A (0.45) | ESR1PDE5A |
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 |