Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 3/20 | 0.38 |
| ▸ | CCR8 | P51685 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.35 |
| ▸ | COPS5 | Q92905 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | CCR5 | P51681 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | COMT | P21964 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16582584 | 0.83 | CCR1 (0.37) | CCR1CCR8L3MBTL1NPC1HSP90AA1 | |
| SCHEMBL19859928 | 0.82 | TOP1 (0.38) | CCR1CCR8COMTALDH1A1 | |
| SCHEMBL16582720 | 0.79 | KDM4E (0.43) | CCR1CCR8L3MBTL1NPC1HSP90AA1 | |
| SCHEMBL16582736 | 0.71 | HSP90AA1 (0.42) | CCR1CCR8L3MBTL1NPC1HSP90AA1 | |
| SCHEMBL19859933 | 0.69 | — | — | |
| SCHEMBL16582575 | 0.67 | TOP1 (0.38) | CCR1CCR8CCR5COMT | |
| SCHEMBL16582618 | 0.67 | OPRK1 (0.32) | KMT2AMAPT | |
| SCHEMBL16582562 | 0.66 | CCR1 (0.31) | CCR1CCR8CCR5 | |
| SCHEMBL19859936 | 0.66 | CCR1 (0.36) | CCR1CCR8L3MBTL1NPC1HSP90AA1 | |
| SCHEMBL17173759 | 0.66 | KDM4E (0.52) | CCR1CCR8L3MBTL1NPC1HSP90AA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9893299-B2 | Heterocyclic compounds | MERCK PATENT GMBH (DE) | 2018-02-13 | — | — | US | disclosed |