Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 3/20 | 0.39 |
| ▸ | LIMK2 | P53671 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8796414 | 0.95 | ALDH1A1 (0.38) | ALDH1A1HSP90AA1HSP90AB1PDK1PDK2 | |
| SCHEMBL8795519 | 0.92 | ALDH1A1 (0.40) | ALDH1A1HSP90AA1HSP90AB1PDK1PDK2 | |
| SCHEMBL7461153 | 0.88 | F2 (0.38) | HSP90AA1HSP90AB1PDK1PDK2PDK3 | |
| SCHEMBL7464516 | 0.87 | PSMB5 (0.39) | HSP90AA1HSP90AB1PDK1PDK2PDK3 | |
| SCHEMBL7461055 | 0.87 | SMN1; SMN2 (0.40) | HSP90AA1HSP90AB1PDK1PDK2PDK3 | |
| SCHEMBL6708356 | 0.87 | MEN1 (0.41) | ALDH1A1HSP90AA1HSP90AB1PDK1PDK2 | |
| SCHEMBL7463863 | 0.86 | KMT2A (0.40) | F2LIMK2SMN1; SMN2BACE1OPRK1 | |
| SCHEMBL6708363 | 0.85 | ITGA4 (0.40) | ALDH1A1SMN1; SMN2OPRM1OPRK1 | |
| SCHEMBL6528687 | 0.83 | BACE1 (0.48) | ALDH1A1F2CTSDBACE1 | |
| SCHEMBL6762938 | 0.81 | MEN1 (0.39) | ALDH1A1HSP90AA1HSP90AB1PDK1PDK2 |
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-0810209-B1 | Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | SEARLE & CO (US) | 2002-06-05 | — | — | EP | claimed |
| EP-0810209-A2 | Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 1997-12-03 | — | — | EP | claimed |
| EP-0810209-B1 | Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | SEARLE & CO (US) | 2002-06-05 | — | — | EP | disclosed |