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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 16/20 | 0.64 |
| ▸ | OPRM1 | P35372 | 13/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.64 |
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 SCHEMBL5156531 | 0.98 | OPRL1 (0.67) | OPRL1OPRM1OPRK1 | |
| SCHEMBL2782210 | 0.90 | OPRL1 (0.78) | OPRL1OPRM1OPRK1 | |
| SCHEMBL22101935 | 0.84 | OPRL1 (0.82) | OPRL1OPRM1OPRK1 | |
| SCHEMBL3413521 | 0.80 | OPRL1 (1.00) | OPRL1OPRM1OPRK1 | |
| Hydrochloric Acid SCHEMBL2380060 | 0.78 | OPRL1 (0.55) | OPRL1OPRM1OPRK1 | |
| Hydrochloric Acid SCHEMBL5158511 | 0.78 | OPRL1 (0.65) | OPRL1OPRM1 | |
| SCHEMBL5454659 | 0.78 | OPRM1 (0.70) | OPRL1OPRM1OPRK1 | |
| SCHEMBL3410403 | 0.78 | OPRM1 (1.00) | OPRL1OPRM1OPRK1 | |
| Hydrochloric Acid SCHEMBL5449940 | 0.77 | OPRL1 (0.60) | OPRL1OPRM1OPRK1 | |
| SCHEMBL2781209 | 0.76 | OPRM1 (0.57) | OPRL1OPRM1OPRK1 |
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-1751095-B1 | SUBSTITUTED CYCLOHEXYLCARBOXYLIC ACID DERIVATIVES | GRUENENTHAL GMBH (DE) | 2014-06-18 | — | — | EP | disclosed |
| EP-1751095-A1 | SUBSTITUTED CYCLOHEXYLCARBOXYLIC ACID DERIVATIVES | Grünenthal GmbH (DE) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005110977-A1 | SUBSTITUTED CYCLOHEXYLCARBOXYLIC ACID DERIVATIVES | Grünenthal GmbH (DE) | 2005-11-24 | — | — | WO | disclosed |