Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | METAP2 | P50579 | 2/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | NPM1 | P06748 | 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 | |
|---|---|---|---|---|
| SCHEMBL13137284 | 0.78 | HDAC8 (0.40) | HDAC8KMONOS1METAP2CSNK2A1 | |
| SCHEMBL25044243 | 0.78 | NOS1 (0.38) | NOS1MAPTCYP11B2 | |
| SCHEMBL15798967 | 0.76 | HDAC8 (0.39) | HDAC8KMONOS1METAP2CSNK2A1 | |
| SCHEMBL29122807 | 0.76 | KMO (0.41) | HDAC8KMONOS1METAP2CSNK2A1 | |
| SCHEMBL11794 | 0.76 | EGFR (0.46) | HDAC8KMOMCL1ALDH1A1MAPT | |
| SCHEMBL171978 | 0.76 | SLC22A12 (0.43) | HDAC8KMOCYP2A6KDM4EMEN1 | |
| SCHEMBL20176165 | 0.76 | HDAC8 (0.39) | HDAC8KMONOS1METAP2CSNK2A1 | |
| SCHEMBL23375830 | 0.76 | HDAC8 (0.36) | HDAC8KMONOS1METAP2CSNK2A1 | |
| SCHEMBL13528 | 0.72 | KMO (0.44) | HDAC8KMOMCL1SLC6A2HTR2A | |
| SCHEMBL23886616 | 0.72 | HDAC8 (0.48) | HDAC8KMONOS1METAP2CSNK2A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2485591-B1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2016-03-23 | — | — | EP | disclosed |
| WO-2013034048-A1 | SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2013-03-14 | — | — | WO | disclosed |