Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
| ▸ | NEK2 | P51955 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 6/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18980089 | 0.83 | KDM4E (0.53) | KDM4ECYP2C19NEK2LMNAHTT | |
| SCHEMBL15775782 | 0.82 | CTSB (0.52) | KDM4ECYP2C19METAP2KMT2AHTT | |
| SCHEMBL18980191 | 0.78 | KDM4E (0.57) | KDM4ECYP2C19NEK2LMNAHTT | |
| SCHEMBL15775983 | 0.78 | NEK2 (0.49) | KDM4ECYP2C19NEK2KMT2ALMNA | |
| SCHEMBL15790569 | 0.78 | CYP2C19 (0.59) | KDM4ECYP2C19KMT2ALMNATDP1 | |
| SCHEMBL15775755 | 0.78 | KDM4E (0.57) | KDM4ECYP2C19NEK2KMT2ALMNA | |
| SCHEMBL15775569 | 0.77 | NPC1 (0.52) | KDM4ECYP2C19METAP2KMT2ALMNA | |
| SCHEMBL15775891 | 0.76 | METAP2 (0.43) | METAP2KMT2A | |
| SCHEMBL20658609 | 0.76 | NOTUM (0.54) | KDM4ECYP2C19NEK2NOTUM | |
| SCHEMBL18980404 | 0.71 | KDM4E (0.46) | KDM4ECYP2C19NEK2KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014086453-A1 | AZAHETEROBICYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2014-06-12 | — | — | WO | claimed |
| WO-2014086453-A1 | AZAHETEROBICYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2014-06-12 | — | — | WO | disclosed |
| WO-2014086453-A1 | AZAHETEROBICYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2014-06-12 | — | — | WO | disclosed |