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 | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 5/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LIPA | P38571 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
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 SCHEMBL28367894 | 1.00 | EPHX1 (0.55) | EPHX1SMN1; SMN2SSTR4GLAKDM4E | |
| Bicarbonate SCHEMBL5597464 | 1.00 | EPHX1 (0.55) | EPHX1SMN1; SMN2SSTR4GLAKDM4E | |
| Bicarbonate SCHEMBL8827972 | 1.00 | EPHX1 (0.55) | EPHX1SMN1; SMN2SSTR4GLAKDM4E | |
| Bicarbonate SCHEMBL975284 | 0.97 | EPHX1 (0.53) | EPHX1SMN1; SMN2SSTR4GLAKDM4E | |
| Bicarbonate SCHEMBL5372441 | 0.97 | EPHX1 (0.53) | EPHX1SMN1; SMN2SSTR4GLAKDM4E | |
| Bicarbonate SCHEMBL1125852 | 0.95 | EPHX1 (0.52) | EPHX1SMN1; SMN2SSTR4GLAKDM4E | |
| Isobutane SCHEMBL28450845 | 0.93 | EPHX1 (0.50) | EPHX1SMN1; SMN2SSTR4GLAKDM4E | |
| Acetic Acid SCHEMBL4353702 | 0.92 | EPHX1 (0.53) | EPHX1SMN1; SMN2SSTR4GLAKDM4E | |
| Bicarbonate SCHEMBL28626633 | 0.91 | EPHX1 (0.48) | EPHX1SMN1; SMN2SSTR4GLAKDM4E | |
| SCHEMBL23174694 | 0.86 | EPHX1 (0.48) | EPHX1SMN1; SMN2SSTR4GLAKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1863766-B1 | CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF | GILEAD CONNECTICUT INC (US) | 2015-05-20 | — | — | EP | claimed |
| EP-1185869-B1 | LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER | GRAFFINITY PHARMACEUTICALS AG (DE) | 2006-07-26 | — | — | EP | disclosed |
| EP-1185869-A2 | LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER | Graffinity Pharmaceutical Design GmbH (DE) | 2002-03-13 | — | — | EP | disclosed |
| WO-2000073796-A2 | LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER | GRAFFINITY PHARMACEUTICAL DESIGN GMBH (DE) | 2000-12-07 | — | — | WO | disclosed |