Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 2/20 | 0.47 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20056973 | 0.89 | HCAR3 (0.57) | HCAR3GBA1DRD2DRD3AOC3 | |
| SCHEMBL21388440 | 0.86 | HCAR3 (0.50) | HCAR3GBA1DRD2DRD3AOC3 | |
| SCHEMBL13879816 | 0.83 | HCAR3 (0.51) | HCAR3GBA1DRD2DRD3AOC3 | |
| SCHEMBL11561974 | 0.80 | HCAR3 (0.45) | HCAR3GBA1DRD2DRD3AOC3 | |
| SCHEMBL20376415 | 0.79 | HCAR3 (0.48) | HCAR3GBA1DRD2DRD3AOC3 | |
| SCHEMBL12394221 | 0.79 | HCAR3 (0.46) | HCAR3GBA1DRD2DRD3AOC3 | |
| SCHEMBL179288 | 0.77 | GBA1 (0.62) | HCAR3GBA1AOC3HDAC6CCR1 | |
| SCHEMBL23183031 | 0.71 | GBA1 (0.50) | HCAR3GBA1AOC3HDAC6CCR1 | |
| SCHEMBL13158978 | 0.71 | HCAR3 (0.36) | HCAR3GBA1HDAC6CCR1CCR5 | |
| SCHEMBL11566506 | 0.71 | GBA1 (0.45) | HCAR3GBA1CRHR1MAPT |
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-2417140-B1 | INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INT (DE) | 2014-11-26 | — | — | EP | disclosed |