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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.55 |
| ▸ | CA6 | P23280 | 5/20 | 0.55 |
| ▸ | CA7 | P43166 | 5/20 | 0.55 |
| ▸ | CA9 | Q16790 | 5/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.55 |
| ▸ | CA2 | P00918 | 4/20 | 0.55 |
| ▸ | CA4 | P22748 | 4/20 | 0.55 |
| ▸ | CA5A | P35218 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | CA3 | P07451 | 3/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10885036 | 0.89 | CA12 (0.69) | CA12CA6CA7CA9CA14 | |
| SCHEMBL2058092 | 0.89 | CA12 (0.69) | CA12CA6CA7CA9CA14 | |
| Trientine SCHEMBL20639324 | 0.89 | CA12 (0.69) | CA12CA6CA7CA9CA14 | |
| SCHEMBL1627711 | 0.89 | — | — | |
| Bicarbonate SCHEMBL10634656 | 0.89 | CA12 (0.69) | CA12CA6CA7CA9CA14 | |
| Hydrochloric Acid SCHEMBL2436614 | 0.87 | KDM4E (0.71) | CA12CA6CA7CA9CA14 | |
| Hydrochloric Acid SCHEMBL27595077 | 0.87 | KDM4E (0.71) | CA12CA6CA7CA9CA14 | |
| Bicarbonate SCHEMBL2443699 | 0.87 | CA12 (0.67) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL971104 | 0.85 | CA12 (0.43) | CA12CA6CA7CA9CA14 | |
| SCHEMBL125862 | 0.84 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7147837-B2 | Bioactivated diagnostic imaging constrast agents | EPIX PHARMACEUTICALS, INC. (US) | 2006-12-12 | — | — | US | disclosed |
| US-20060275216-A1 | Bioactivated diagnostic imaging contrast agents | EPIX PHARMACEUTICALS, INC., A DELAWARE CORPORATION | 2006-12-07 | — | — | US | disclosed |
| US-20040156785-A1 | Bioactivated diagnostic imaging constrast agents | EPIX MEDICAL , INC., A DELAWARE CORPORATION | 2004-08-12 | — | — | US | disclosed |
| EP-0907379-B1 | BIOACTIVATED DIAGNOSTIC IMAGING CONTRAST AGENTS | EPIX MEDICAL INC (US) | 2004-06-02 | — | — | EP | disclosed |
| US-6709646-B2 | MAGNETIC RESONANCE IMAGING | EPIX MEDICAL, INC. | 2004-03-23 | — | — | US | disclosed |
| CN-1108824-C | Bioactivated diagnostic imaging contrast agents | EPIX MEDICAL INC (US) | 2003-05-21 | — | — | CN | disclosed |
| US-20020034476-A1 | Bioactivated diagnostic imaging contrast agents | EPIX MEDICAL, INC. | 2002-03-21 | — | — | US | disclosed |
| CN-1215341-A | Bioactivated diagnostic imaging contrast agents | EPIX MEDICAL INC (US) | 1999-04-28 | — | — | CN | disclosed |
| EP-0907379-A2 | BIOACTIVATED DIAGNOSTIC IMAGING CONTRAST AGENTS | Epix Medical, Inc. (US) | 1999-04-14 | — | — | EP | disclosed |
| WO-1997036619-A2 | BIOACTIVATED DIAGNOSTIC IMAGING CONTRAST AGENTS | EPIX MEDICAL, INC. (US) | 1997-10-09 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060275216-A1 | Bioactivated diagnostic imaging contrast agents | SMPD1, PDE7A, PDE6C | CA12 172/4885CA6 284/4885CA7 41/4885 |
| US-20020034476-A1 | Bioactivated diagnostic imaging contrast agents | SMPD1, SMPD4, SMPD3 | CA12 316/4885CA6 378/4885CA7 30/4885 |
| US-20040156785-A1 | Bioactivated diagnostic imaging constrast agents | GUCY1A2, PDE3B, PDE2A | CA12 201/4885CA6 662/4885CA7 126/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.