Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.35 |
| ▸ | ESRRB | O95718 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27389325 | 0.73 | SMN1; SMN2 (0.42) | SMN1; SMN2CA14ESRRBCA12CA7 | |
| SCHEMBL2566028 | 0.73 | — | — | |
| SCHEMBL24072865 | 0.72 | SMN1; SMN2 (0.46) | SMN1; SMN2CA14ESRRBCA12CA7 | |
| SCHEMBL1557617 | 0.72 | SMN1; SMN2 (0.46) | SMN1; SMN2CA14ESRRBCA12CA7 | |
| SCHEMBL7105090 | 0.72 | SMN1; SMN2 (0.46) | SMN1; SMN2CA14ESRRBCA12CA7 | |
| SCHEMBL2909414 | 0.70 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL1869834 | 0.70 | CA1 (0.46) | SMN1; SMN2CA14ESRRBCA12ALDH1A1 | |
| SCHEMBL86348 | 0.70 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL108113 | 0.70 | — | — | |
| SCHEMBL295130 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013173501-A2 | CHROMATOGRAPHIC MATERIALS | WATERS TECHNOLOGIES CORPORATION (US) | 2013-11-21 | — | — | WO | disclosed |
| WO-2013158277-A1 | METHODS FOR QUANTIFYING POLYPEPTIDES USING MASS SPECTROMETRY | WATERS TECHNOLOGIES CORPORATION (US) | 2013-10-24 | — | — | WO | disclosed |
| EP-2462188-A1 | HIGH PURITY CHROMATROGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER | Waters Technologies Corporation (US) | 2012-06-13 | — | — | EP | disclosed |
| WO-2011017418-A1 | HIGH PURITY CHROMATROGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER | WATERS TECHNOLOGIES CORPORATION (US) | 2011-02-10 | — | — | WO | disclosed |