Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | ERCC1 | P07992 | 2/20 | 0.34 |
| ▸ | ERCC4 | Q92889 | 2/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.32 |
| ▸ | BAD | Q92934 | 1/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL27688204 | 0.84 | PIK3CA (0.38) | PIK3CAPTGS1PTGS2ERCC1ERCC4 | |
| SCHEMBL16719637 | 0.83 | ESR1 (0.42) | RPS6KA3BCL2L1MEN1KMT2AALDH1A1 | |
| SCHEMBL9988102 | 0.80 | BACE1 (0.38) | PTGS1PTGS2RPS6KA3BCL2L1MEN1 | |
| SCHEMBL16720203 | 0.80 | ALOX5 (0.41) | PIK3CAPTGS1PTGS2MEN1KMT2A | |
| SCHEMBL16719460 | 0.79 | KIF11 (0.47) | PIK3CAALDH1A1KDM4EPOLBHSD17B10 | |
| SCHEMBL16719824 | 0.79 | ESR2 (0.43) | KDM4EHSD17B10 | |
| SCHEMBL159940 | 0.79 | ALDH1A1 (0.54) | BCL2L1MEN1KMT2AALDH1A1HPGD | |
| SCHEMBL150097 | 0.79 | PTGS2 (0.35) | PTGS1PTGS2RPS6KA3RAB9ANPC1 | |
| SCHEMBL16720371 | 0.78 | CA12 (0.34) | PTGS1BCL2L1ALDH1A1HPGDCA6 | |
| SCHEMBL16719523 | 0.78 | HSD17B1 (0.40) | PIK3CAGAACA9 |
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 9 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 |
| EP-1153014-B1 | BETA-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2004-09-22 | — | — | EP | disclosed |
| US-6576637-B1 | Such as 3-(4-methyl-3-nitrophenyl)-3-(2-(4-(pyridin-2-yl-amino)butyryl amino)acetylamino)propionic acid; thrombosis, heart infarct, coronary heart diseases, arteriosclerosis, inflammations, | MERCK PATENT GMBH (DE) | 2003-06-10 | — | — | US | disclosed |
| EP-1153014-A2 | BETA-ALANINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000048996-A2 | β-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2000-08-24 | — | — | WO | disclosed |
| US-5120848-A | Anticholesterol and antilipemic agents; hydroxy-3-methylglutaryl/3-/ coenzyme A reductase inhibitors | GLAXO GROUP LIMITED (GB) | 1992-06-09 | — | — | US | disclosed |
| US-5013749-A | Imidazole derivatives and their use as hypercholesterolemia and hyperlipoproteinemia agents | GLAXO GROUP LIMITED (GB) | 1991-05-07 | — | — | US | disclosed |