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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
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 SCHEMBL1721033 | 1.00 | PTPN1 (0.33) | PTPN1 | |
| SCHEMBL659449 | 0.92 | PTPN1 (0.31) | PTPN1 | |
| SCHEMBL659455 | 0.70 | — | — | |
| SCHEMBL658369 | 0.68 | KDM4E (0.36) | — | |
| SCHEMBL14204423 | 0.60 | PTPN1 (0.47) | PTPN1 | |
| SCHEMBL31643745 | 0.60 | PTPN1 (0.41) | PTPN1 | |
| SCHEMBL7987712 | 0.59 | PTPN1 (0.43) | PTPN1 | |
| SCHEMBL18270608 | 0.59 | ESR1 (0.40) | — | |
| SCHEMBL6543977 | 0.59 | PTPN1 (0.41) | PTPN1 | |
| SCHEMBL29311940 | 0.57 | PTPN1 (0.40) | PTPN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2406243-A1 | BENZOFURAN DERIVATIVES | Takeda Pharmaceutical Company Limited (JP) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010104194-A1 | BENZOFURAN DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-16 | — | — | WO | disclosed |