Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 14/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 13/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16720373 | 0.81 | ACHE (0.41) | CYP1A2CYP2C19 | |
| SCHEMBL9769410 | 0.81 | HSD17B1 (0.45) | HSD17B1HSD17B2CYP3A4CYP2C9ESR1 | |
| SCHEMBL16720131 | 0.81 | ESR2 (0.47) | HSD17B1HSD17B2ESR2LMNA | |
| SCHEMBL4275387 | 0.81 | HSD17B1 (0.47) | HSD17B1HSD17B2CYP3A4CYP2C9ESR1 | |
| SCHEMBL16719910 | 0.81 | ALOX5 (0.55) | ESR2 | |
| SCHEMBL6607387 | 0.79 | ALDH1A1 (0.46) | CYP3A4ESR2CA12ALDH1A1CA2 | |
| SCHEMBL16719805 | 0.79 | ACMSD (0.45) | HSD17B1HSD17B2 | |
| SCHEMBL16720242 | 0.79 | HSD17B1 (0.42) | HSD17B1HSD17B2CYP3A4CYP2C9ESR1 | |
| SCHEMBL16719695 | 0.78 | HSD17B1 (0.42) | HSD17B1HSD17B2CYP3A4CA12ALDH1A1 | |
| SCHEMBL9987990 | 0.78 | ESR1 (0.42) | HSD17B1HSD17B2CYP3A4ESR1ESR2 |
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-2397462-A2 | Compounds, compositions and methods of treatment for heart failure | Cytokinetics, Inc. (US) | 2011-12-21 | — | — | EP | claimed |
| EP-3068758-A1 | EBNA1 INHIBITORS AND THEIR METHOD OF USE | The Wistar Institute Of Anatomy And Biology (US) | 2016-09-21 | — | — | EP | disclosed |
| WO-2015073864-A1 | EBNA1 INHIBITORS AND THEIR METHOD OF USE | THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) | 2015-05-21 | — | — | WO | disclosed |