Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | PKLR | P30613 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7431356 | 0.88 | KMT2A (0.46) | CTSKALDH1A1LMNAHTTMAPT | |
| SCHEMBL7599077 | 0.85 | HCRTR1 (0.40) | CTSKALDH1A1LMNANPSR1TP53 | |
| SCHEMBL7426881 | 0.85 | HDAC1 (0.42) | PAX8CTSKALDH1A1LMNANPSR1 | |
| SCHEMBL7427486 | 0.82 | MEN1 (0.47) | CTSKALDH1A1LMNAGAAPOLB | |
| SCHEMBL7434831 | 0.82 | KMT2A (0.48) | ALDH1A1NPSR1TP53MAPTPKM | |
| SCHEMBL7432035 | 0.79 | ALDH1A1 (0.48) | CTSKALDH1A1CTSLCTSS | |
| Quinoxaline SCHEMBL5099608 | 0.79 | CTSK (0.49) | CTSKCHRM5PKMCTSLCTSS | |
| SCHEMBL7477927 | 0.79 | CTSK (0.50) | CTSKLMNAMAPTCTSLCTSS | |
| SCHEMBL4772275 | 0.78 | MTNR1A (0.40) | ALDH1A1MTNR1AMTNR1B | |
| SCHEMBL7427121 | 0.78 | MEN1 (0.55) | ALDH1A1HTTMAPTHCRTR1GAA |
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 | claimed |
| EP-1158986-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2001-12-05 | — | — | EP | claimed |
| WO-2000038687-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-07-06 | — | — | WO | claimed |