Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.57 |
| ▸ | USP2 | O75604 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | NEK2 | P51955 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15790595 | 0.86 | ALDH1A1 (0.55) | KDM4EHSD17B10NPSR1HPGDKMT2A | |
| SCHEMBL15790597 | 0.80 | KMT2A (0.48) | NPSR1USP2KMT2AALDH1A1MEN1 | |
| SCHEMBL15776680 | 0.78 | NPC1 (0.50) | USP2KMT2AALDH1A1MEN1CYP2C19 | |
| SCHEMBL15775592 | 0.78 | KDM4E (0.48) | KDM4EHSD17B10NPSR1USP2HPGD | |
| SCHEMBL15790592 | 0.76 | MAPT (0.51) | KMT2AMEN1TSHRTP53LMNA | |
| SCHEMBL5844330 | 0.73 | KDM4E (1.00) | KDM4EHSD17B10NPSR1USP2HPGD | |
| SCHEMBL15775983 | 0.72 | NEK2 (0.49) | KDM4EHSD17B10NPSR1USP2HPGD | |
| SCHEMBL16695435 | 0.68 | NOTUM (0.65) | KDM4EHSD17B10NPSR1USP2HPGD | |
| SCHEMBL13494044 | 0.68 | KDM4E (0.81) | KDM4EHSD17B10NPSR1USP2HPGD | |
| SCHEMBL3256156 | 0.68 | KDM4E (0.62) | KDM4EHSD17B10NPSR1USP2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| 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 |