Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 12/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 12/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 12/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 12/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 12/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 11/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 11/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 11/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 10/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 10/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.36 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 9/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 8/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20879118 | 0.91 | MTNR1A (0.44) | HDAC3HDAC1HDAC8HDAC6HSP90AA1 | |
| SCHEMBL20879038 | 0.86 | ERBB2 (0.39) | HDAC3HDAC1HDAC8HDAC6HSP90AA1 | |
| SCHEMBL15604263 | 0.86 | ERBB2 (0.40) | HDAC3HDAC1HDAC8HDAC6HSP90AA1 | |
| SCHEMBL20878879 | 0.83 | ERBB2 (0.39) | HDAC3HDAC1HDAC8HDAC6HSP90AA1 | |
| SCHEMBL18103365 | 0.83 | THRA (0.39) | HDAC3HDAC1HDAC8HDAC6HSP90AA1 | |
| SCHEMBL22667590 | 0.83 | CA12 (0.42) | — | |
| SCHEMBL20879039 | 0.82 | TDP1 (0.43) | — | |
| SCHEMBL19154279 | 0.81 | ERBB2 (0.39) | HSP90AA1ERBB2THRATHRB | |
| SCHEMBL20879030 | 0.80 | HSP90AA1 (0.38) | HSP90AA1ERBB2 | |
| SCHEMBL22354738 | 0.79 | HSP90AA1 (0.34) | HSP90AA1ERBB2 |
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 |