Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 3/20 | 0.45 |
| ▸ | CCR5 | P51681 | 3/20 | 0.45 |
| ▸ | CCR8 | P51685 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | COMT | P21964 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | MPI | P34949 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8602817 | 0.86 | CCR1 (0.48) | CCR1CCR5CCR8HTTSLC6A2 | |
| SCHEMBL16742815 | 0.82 | HSP90AA1 (0.44) | CCR1CCR5CCR8HTTSLC6A2 | |
| SCHEMBL15010895 | 0.82 | CCR1 (0.41) | CCR1CCR5CCR8HTTSLC6A2 | |
| SCHEMBL17212936 | 0.82 | KDM4E (0.53) | CCR1CCR5CCR8HTTSLC6A2 | |
| SCHEMBL1073354 | 0.82 | CCR1 (0.50) | CCR1CCR5CCR8HTTSLC6A2 | |
| Hydrochloric Acid SCHEMBL11825124 | 0.80 | CCR1 (0.48) | CCR1CCR5CCR8HTTSLC6A2 | |
| SCHEMBL995835 | 0.80 | MEN1 (0.40) | CCR1CCR5CCR8HTTSLC6A2 | |
| SCHEMBL15483503 | 0.80 | KDM4E (0.49) | CCR1CCR5CCR8HTTSLC6A2 | |
| SCHEMBL13328096 | 0.79 | CCR1 (0.75) | CCR1CCR5CCR8HTTSLC6A2 | |
| SCHEMBL28192061 | 0.77 | TOP2A (0.54) | HTTSLC6A2COMTTLR8TOP2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2937339-A1 | Macrocylic inhibitors of hepatitis c virus | Janssen Sciences Ireland UC (IE) | 2015-10-28 | — | — | EP | disclosed |