Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 1.00 |
| ▸ | CCR6 | P51684 | 1/20 | 1.00 |
| ▸ | PAX8 | Q06710 | 1/20 | 1.00 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 1.00 |
| ▸ | NR4A1 | P22736 | 7/20 | 0.84 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.83 |
| ▸ | CASP1 | P29466 | 1/20 | 0.83 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.83 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.83 |
| ▸ | TP53 | P04637 | 1/20 | 0.83 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.83 |
| ▸ | MAPT | P10636 | 1/20 | 0.83 |
| ▸ | HPGD | P15428 | 1/20 | 0.83 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.83 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.83 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.83 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.83 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.83 |
| ▸ | TERT | O14746 | 7/20 | 0.82 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.75 |
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 | |
|---|---|---|---|---|
| Celastrol SCHEMBL17130559 | 1.00 | HSP90AA1 (1.00) | HSP90AA1CCR6PAX8TLR9NR4A1 | |
| Celastrol SCHEMBL14954 | 1.00 | HSP90AA1 (1.00) | HSP90AA1CCR6PAX8TLR9NR4A1 | |
| Celastrol SCHEMBL15813281 | 1.00 | HSP90AA1 (1.00) | HSP90AA1CCR6PAX8TLR9NR4A1 | |
| Celastrol SCHEMBL19745423 | 1.00 | HSP90AA1 (1.00) | HSP90AA1CCR6PAX8TLR9NR4A1 | |
| Celastrol SCHEMBL17430781 | 1.00 | HSP90AA1 (1.00) | HSP90AA1CCR6PAX8TLR9NR4A1 | |
| Celastrol SCHEMBL18845540 | 1.00 | HSP90AA1 (1.00) | HSP90AA1CCR6PAX8TLR9NR4A1 | |
| Celastrol SCHEMBL20547678 | 0.99 | HSP90AA1 (0.98) | HSP90AA1CCR6PAX8TLR9NR4A1 | |
| SCHEMBL12395103 | 0.93 | HSP90AA1 (0.86) | HSP90AA1CCR6PAX8TLR9NR4A1 | |
| SCHEMBL13287257 | 0.92 | HSP90AA1 (0.86) | HSP90AA1CCR6PAX8TLR9NR4A1 | |
| Celastrol SCHEMBL23777521 | 0.92 | HSP90AA1 (0.84) | HSP90AA1CCR6PAX8TLR9NR4A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023086467-A1 | CELASTROL PROTEOLYSIS TARGETING CHIMERAS | THE GENERAL HOSPITAL CORPORATION (US) | 2023-05-19 | — | — | WO | disclosed |