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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | INMT | O95050 | 6/20 | 0.83 |
| ▸ | USP2 | O75604 | 1/20 | 0.81 |
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 SCHEMBL6363121 | 0.98 | INMT (0.84) | INMTUSP2ACHECYP1A2CYP2D6 | |
| Bicarbonate SCHEMBL6184428 | 0.96 | INMT (0.81) | INMTUSP2ACHECYP1A2CYP2D6 | |
| Fumaric Acid SCHEMBL29660234 | 0.93 | INMT (0.97) | INMTUSP2 | |
| Acetic Acid SCHEMBL1691556 | 0.93 | INMT (0.75) | INMTUSP2CYP1A2CYP2C19 | |
| Acetic Acid SCHEMBL1691547 | 0.93 | INMT (0.75) | INMTUSP2CYP1A2CYP2C19 | |
| Acetic Acid SCHEMBL1691544 | 0.93 | INMT (0.75) | INMTUSP2CYP1A2CYP2C19 | |
| Bicarbonate SCHEMBL31253382 | 0.90 | INMT (0.82) | INMTUSP2ACHE | |
| SCHEMBL6853620 | 0.90 | INMT (1.00) | INMTUSP2ACHE | |
| SCHEMBL2734323 | 0.90 | INMT (1.00) | INMTUSP2ACHE | |
| SCHEMBL16583523 | 0.90 | INMT (1.00) | INMTUSP2ACHE |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | claimed |
| EP-1045833-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER INC. (US) | 2000-10-25 | — | — | EP | claimed |
| WO-1999035130-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-07-15 | — | — | WO | claimed |
| EP-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | disclosed |
| US-6608070-B1 | Useful for treatment of medical condition in which prostaglandins are implicated as pathogens | NAKAO KAZUNARI (JP) | 2003-08-19 | — | — | US | disclosed |
| EP-1045833-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER INC. (US) | 2000-10-25 | — | — | EP | disclosed |
| WO-1999035130-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-07-15 | — | — | WO | disclosed |