Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | USP5 | P45974 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6761962 | 0.88 | POLB (0.46) | PKMUSP5ALDH1A1MAPTPOLB | |
| SCHEMBL7426883 | 0.85 | PAX8 (0.43) | HCRTR1HCRTR2CHRM5PKMALDH1A1 | |
| SCHEMBL6765207 | 0.83 | CYP3A4 (0.45) | PKMALDH1A1MAPTGAAPOLB | |
| SCHEMBL7426881 | 0.81 | HDAC1 (0.42) | HCRTR1HCRTR2CHRM5PKMALDH1A1 | |
| SCHEMBL4924362 | 0.79 | CTSK (0.56) | CTSK | |
| SCHEMBL7633224 | 0.79 | CTSK (0.56) | CTSK | |
| Quinoxaline SCHEMBL5099608 | 0.77 | CTSK (0.49) | CHRM5PKMCTSK | |
| SCHEMBL5092610 | 0.76 | CTSK (0.40) | CTSK | |
| SCHEMBL6590970 | 0.75 | CTSK (0.41) | ALDH1A1MAPTGAACTSKHTT | |
| SCHEMBL5105641 | 0.73 | CTSK (0.57) | CTSK |
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-1158986-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-03-27 | — | — | EP | disclosed |
| EP-1158986-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000038687-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-07-06 | — | — | WO | disclosed |