Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5774380 | 0.87 | ALDH1A1 (0.39) | ALDH1A1CNR1PDE7BTRPV1CHEK2 | |
| SCHEMBL5479053 | 0.84 | ALDH1A1 (0.37) | ALDH1A1CNR1PDE7BCHEK2PRMT5 | |
| SCHEMBL5771502 | 0.82 | ALOX5AP (0.38) | ALDH1A1PDE7BTRPV1CHEK2PRMT5 | |
| SCHEMBL8262579 | 0.78 | F2 (0.40) | IRAK4 | |
| SCHEMBL5801498 | 0.78 | TRPV1 (0.41) | ALDH1A1PDE7BTRPV1CHEK2PRMT5 | |
| SCHEMBL8262110 | 0.77 | TRPV1 (0.40) | ALDH1A1PDE7BTRPV1CHEK2PRMT5 | |
| SCHEMBL5802463 | 0.76 | GRM5 (0.37) | ALDH1A1PDE7BTRPV1CHEK2PRMT5 | |
| SCHEMBL5476856 | 0.69 | F2 (0.44) | ALDH1A1MAPT | |
| SCHEMBL8515983 | 0.68 | CHEK2 (0.40) | ALDH1A1PDE7BTRPV1CHEK2PRMT5 | |
| SCHEMBL5477502 | 0.68 | F2 (0.41) | ALDH1A1LMNAMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1655296-A1 | Thrombin inhibitors | Graffinity Pharmaceuticals AG (DE) | 2006-05-10 | — | — | EP | disclosed |
| WO-2006045459-A1 | THROMBIN INHIBITORS | SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) | 2006-05-04 | — | — | WO | disclosed |
| WO-2006045459-A1 | THROMBIN INHIBITORS | SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) | 2006-05-04 | — | — | WO | disclosed |