Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 2/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 7/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30277647 | 0.94 | PTGES (0.48) | PTGESALOX5HSP90AA1PDK1NPC1 | |
| SCHEMBL30277669 | 0.93 | PTGES (0.55) | PTGESALOX5HSP90AA1PDK1NPC1 | |
| SCHEMBL30277491 | 0.92 | PTGES (0.47) | PTGESALOX5HSP90AA1PDK1NPC1 | |
| SCHEMBL30277535 | 0.92 | PDK1 (0.52) | PTGESALOX5HSP90AA1PDK1NPC1 | |
| SCHEMBL30277622 | 0.92 | PTGES (0.56) | PTGESALOX5PDK1PDK2PDK4 | |
| SCHEMBL30277568 | 0.91 | PTGES (0.46) | PTGESALOX5HSP90AA1PDK1RAB9A | |
| SCHEMBL30277596 | 0.91 | PTGES (0.46) | PTGESALOX5HSP90AA1PDK1RAB9A | |
| SCHEMBL30277512 | 0.85 | PTGES (0.58) | PTGESALOX5HSP90AA1PDK1PDK2 | |
| SCHEMBL30277574 | 0.85 | PTGES (0.58) | PTGESALOX5PDK1NPC1RAB9A | |
| SCHEMBL30277581 | 0.85 | PTGES (0.66) | PTGESALOX5PDK1PDK2PDK4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4399198-A2 | DUAL INHIBITOR OF HISTONE DEACETYLASE 6 AND HEAT SHOCK PROTEIN 90 | Taipei Medical University (TW) | 2024-07-17 | — | — | EP | disclosed |
| WO-2023035005-A2 | DUAL INHIBITOR OF HISTONE DEACETYLASE 6 AND HEAT SHOCK PROTEIN 90 | TAIPEI MEDICAL UNIVERSITY (TW) | 2023-03-09 | — | — | WO | disclosed |