Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 3/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 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 | |
|---|---|---|---|---|
| SCHEMBL29581976 | 0.86 | KDM4E (0.44) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL29581337 | 0.85 | KDM4E (0.42) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL5781672 | 0.82 | KDM4E (0.42) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL5781674 | 0.82 | KDM4E (0.42) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL18392314 | 0.81 | RAB9A (0.63) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL18109833 | 0.80 | PDK1 (0.50) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL31532294 | 0.78 | TMEM97 (0.46) | SRD5A1SRD5A2PRMT5WDR77FABP7 | |
| SCHEMBL29341760 | 0.78 | TMEM97 (0.46) | SRD5A1SRD5A2PRMT5WDR77FABP7 | |
| SCHEMBL31532280 | 0.78 | TMEM97 (0.46) | SRD5A1SRD5A2PRMT5WDR77FABP7 | |
| SCHEMBL16424441 | 0.78 | KMT2A (0.44) | KDM4ETSHRMAPTRAB9AFABP7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4400505-A1 | PEPTIDE-UREA DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND APPLICATION THEREOF | Bivision Pharmaceuticals, Inc (CN) | 2024-07-17 | — | — | EP | disclosed |
| WO-2007144379-A1 | BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS | MEDIVIR AB (SE) | 2007-12-21 | — | — | WO | disclosed |
| WO-2006064286-A1 | CATHEPSIN S INHIBITORS | MEDIVIR UK LTD (GB) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006064286-A1 | CATHEPSIN S INHIBITORS | MEDIVIR UK LTD (GB) | 2006-06-22 | — | — | WO | disclosed |