Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL2825758 | 0.78 | CA12 (0.52) | CA12CA1CA2CA9MGAM | |
| SCHEMBL18973483 | 0.78 | CA12 (0.41) | CA12CA1CA2CA9MGAM | |
| SCHEMBL22146215 | 0.73 | CA12 (0.37) | CA12CA1CA2CA9MGAM | |
| SCHEMBL196815 | 0.72 | — | — | |
| SCHEMBL12589581 | 0.72 | CA12 (0.59) | CA12CA1CA2CA9MGAM | |
| Hydrochloric Acid SCHEMBL1876862 | 0.70 | CA12 (0.57) | CA12CA1CA2CA9MGAM | |
| SCHEMBL8632964 | 0.70 | — | — | |
| Iodide SCHEMBL30042709 | 0.70 | CA12 (0.57) | CA12CA1CA2CA9MGAM | |
| Hydrochloric Acid SCHEMBL8143027 | 0.70 | CA12 (0.57) | CA12CA1CA2CA9MGAM | |
| Ethyl [Methyl(Nitroso)Amino]Acetate SCHEMBL4905072 | 0.69 | CA12 (0.52) | CA12CA1CA2CA9MGAM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3237391-B1 | CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF | FARMINGTON PHARMA DEV (US) | 2020-09-02 | — | — | EP | disclosed |