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 | 0.57 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 SCHEMBL7016998 | 0.95 | PTPN12 (0.51) | PTPN12PTPN22KDM4ETDP1HTT | |
| SCHEMBL8182749 | 0.92 | PTPN12 (0.58) | PTPN12PTPN22KDM4ETDP1HTT | |
| Bicarbonate SCHEMBL7012008 | 0.92 | PTPN12 (0.63) | PTPN12PTPN22HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL8184564 | 0.87 | PTPN12 (0.52) | PTPN12PTPN22HTTSMN1; SMN2ALDH1A1 | |
| Bicarbonate SCHEMBL7014095 | 0.87 | HTT (0.51) | HTTSMN1; SMN2ALDH1A1LMNAHSD17B10 | |
| Bicarbonate SCHEMBL7011659 | 0.86 | ALDH1A1 (0.49) | PTPN12PTPN22KDM4ETDP1HTT | |
| Bicarbonate SCHEMBL7018386 | 0.84 | KDM4E (0.46) | PTPN12PTPN22KDM4ETDP1HTT | |
| Bicarbonate SCHEMBL7016370 | 0.84 | KDM4E (0.48) | PTPN12PTPN22KDM4ETDP1HTT | |
| SCHEMBL8184394 | 0.83 | PTPN12 (0.64) | PTPN12PTPN22HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL6709562 | 0.82 | PTPN12 (0.64) | PTPN12PTPN22HTTSMN1; SMN2ALDH1A1 |
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 1 patent. 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 |