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 | |
|---|---|---|---|---|
| ▸ | PTPN12 | Q05209 | 1/20 | 0.63 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 SCHEMBL7011933 | 0.92 | PTPN12 (0.57) | PTPN12PTPN22ALDH1A1HTTLMNA | |
| SCHEMBL8184394 | 0.92 | PTPN12 (0.64) | PTPN12PTPN22ALDH1A1HTTLMNA | |
| SCHEMBL6709562 | 0.90 | PTPN12 (0.64) | PTPN12PTPN22ALDH1A1HTTLMNA | |
| Bicarbonate SCHEMBL7016998 | 0.86 | PTPN12 (0.51) | PTPN12PTPN22ALDH1A1HTTLMNA | |
| Bicarbonate SCHEMBL7015314 | 0.86 | PDE5A (0.59) | PTPN12PTPN22ALDH1A1HTTLMNA | |
| SCHEMBL7666149 | 0.86 | PTPN12 (0.61) | PTPN12PTPN22ALDH1A1HTTLMNA | |
| Bicarbonate SCHEMBL7018633 | 0.86 | MAPT (0.46) | PTPN12PTPN22ALDH1A1HTTLMNA | |
| SCHEMBL6708285 | 0.86 | PTPN12 (0.57) | PTPN12PTPN22ALDH1A1HTTLMNA | |
| Bicarbonate SCHEMBL7017359 | 0.85 | PTPN12 (0.47) | PTPN12PTPN22ALDH1A1HTTLMNA | |
| Bicarbonate SCHEMBL7018741 | 0.85 | KMT2A (0.51) | PTPN12PTPN22ALDH1A1HTTLMNA |
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 6 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 | claimed |
| EP-0934321-A1 | THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT | MERCK PATENT GmbH (DE) | 1999-08-11 | — | — | EP | claimed |
| WO-1998017668-A1 | THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT | MERCK PATENT GMBH (DE) | 1998-04-30 | — | — | WO | claimed |
| 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 |