Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | FLT3 | P36888 | 2/20 | 0.39 |
| ▸ | TYRO3 | Q06418 | 2/20 | 0.39 |
| ▸ | MERTK | Q12866 | 2/20 | 0.39 |
| ▸ | GAS6 | Q14393 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 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 | |
|---|---|---|---|---|
| SCHEMBL15470027 | 0.90 | HDAC3 (0.45) | HDAC3HDAC1HDAC2PLA2G2ATHRA | |
| SCHEMBL20219346 | 0.87 | ALDH1A1 (0.40) | HDAC3HDAC1HDAC2MAPTHTT | |
| SCHEMBL20219725 | 0.82 | MGLL (0.47) | HDAC3HDAC2THRATHRBMAPT | |
| SCHEMBL20219327 | 0.81 | MAPK1 (0.44) | MAPTNPSR1NPC1RAB9ATLR7 | |
| SCHEMBL20219259 | 0.81 | ALDH1A1 (0.38) | NPC1TLR7 | |
| SCHEMBL20219723 | 0.80 | ALDH1A1 (0.38) | FLT3TYRO3MERTKGAS6HSP90AA1 | |
| SCHEMBL13195680 | 0.79 | FLT3 (0.41) | HDAC3HDAC1HDAC2FLT3TYRO3 | |
| SCHEMBL23472524 | 0.78 | TLR7 (0.41) | HDAC3HDAC1HDAC2TLR7 | |
| SCHEMBL16482859 | 0.77 | MAOA (0.54) | HDAC3HDAC1HDAC2PLA2G2ATHRA | |
| SCHEMBL23472210 | 0.77 | MTNR1B (0.47) | MAPTTLR7MTNR1AMTNR1B |
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-3330257-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | Janssen Sciences Ireland UC (IE) | 2018-06-06 | — | — | EP | disclosed |