Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL5159517 | 0.97 | CA2 (0.50) | CA2TSHRCYP3A4NFKB1NPSR1 | |
| SCHEMBL4612400 | 0.95 | — | — | |
| SCHEMBL1913400 | 0.95 | CA2 (0.52) | CA2TSHRCYP3A4NFKB1NPSR1 | |
| Bicarbonate SCHEMBL3814863 | 0.90 | CA2 (0.54) | CA2TSHRCYP3A4NFKB1NPSR1 | |
| Sulfuric Acid SCHEMBL6659224 | 0.86 | CA2 (0.45) | CA2TSHRCYP3A4NFKB1NPSR1 | |
| SCHEMBL5079490 | 0.86 | CA2 (0.58) | CA2TSHRCYP3A4NFKB1NPSR1 | |
| SCHEMBL633800 | 0.86 | CA2 (0.58) | CA2TSHRCYP3A4NFKB1NPSR1 | |
| Acetic Acid SCHEMBL4079569 | 0.81 | CA2 (0.54) | CA2TSHRCYP3A4NFKB1NPSR1 | |
| Acetic Acid SCHEMBL18011981 | 0.81 | CA2 (0.54) | CA2TSHRCYP3A4NFKB1NPSR1 | |
| Acetoacetic Acid SCHEMBL28989893 | 0.81 | CA2 (0.41) | CA2TSHRCYP3A4NFKB1NPSR1 |
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-1750527-A1 | COMPOSITIONS AND METHOD FOR ENHANCING THE BIOAVAILABILITY OF CALCIUM AND MAGNESIUM IN DIETARY SUPPLEMENTS AND FOOD ADDITIVES | Wiley Organics, Inc. (US) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005096846-A1 | COMPOSITION AND METHOD FOR ENHANCING THE BIOAVAILABILITY OF CALCIUM AND MAGNESIUM IN DIETARY SUPPLEMENTS AND FOOD ADDITIVES | WILEY ORGANICS, INC. (US) | 2005-10-20 | — | — | WO | disclosed |
| US-20040220266-A1 | Composition and method for enhancing the bioavailability of calcium and magnesium in dietary supplements and food additives | WILEY ORGANICS, INC. | 2004-11-04 | — | — | US | disclosed |