Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 17/20 | 0.49 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 13/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL28130292 | 0.99 | HSP90AB1 (0.49) | HSP90AB1ERBB2HSP90AA1PDK1HDAC3 | |
| SCHEMBL16569528 | 0.93 | ERBB2 (0.47) | HSP90AB1ERBB2HSP90AA1HDAC3HDAC4 | |
| SCHEMBL501462 | 0.93 | HSP90AB1 (0.53) | HSP90AB1ERBB2HSP90AA1 | |
| SCHEMBL15525677 | 0.92 | ERBB2 (0.47) | HSP90AB1ERBB2HSP90AA1HDAC3HDAC4 | |
| SCHEMBL15525642 | 0.92 | ERBB2 (0.47) | HSP90AB1ERBB2HSP90AA1HDAC3HDAC4 | |
| SCHEMBL17293935 | 0.91 | ERBB2 (0.46) | HSP90AB1ERBB2HSP90AA1HDAC3HDAC4 | |
| SCHEMBL17293934 | 0.91 | ERBB2 (0.46) | HSP90AB1ERBB2HSP90AA1HDAC3HDAC4 | |
| SCHEMBL17293936 | 0.91 | ERBB2 (0.46) | HSP90AB1ERBB2HSP90AA1HDAC3HDAC4 | |
| SCHEMBL15525645 | 0.90 | ERBB2 (0.47) | HSP90AB1ERBB2HSP90AA1HDAC3HDAC4 | |
| SCHEMBL15604174 | 0.90 | HSP90AB1 (0.46) | HSP90AB1ERBB2HSP90AA1HDAC3HDAC4 |
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-3738594-A1 | TARGETED THERAPEUTICS HAVING AN HSP90 LIGAND AS BINDING MOIETY | Madrigal Pharmaceuticals, Inc. (US) | 2020-11-18 | — | — | EP | disclosed |
| EP-3035938-B1 | TARGETED THERAPEUTICS | MADRIGAL PHARMACEUTICALS INC (US) | 2020-08-19 | — | — | EP | disclosed |
| EP-3466416-A2 | A BINDING MOIETY-DRUG CONJUGATE COMPRISING A HSP90 BINDING MOIETY AND A CYTOTOXIC EFFECTOR MOIETY | Madrigal Pharmaceuticals, Inc. (US) | 2019-04-10 | — | — | EP | disclosed |