Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.48 |
| ▸ | ANPEP | P15144 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21644589 | 1.00 | HSP90AA1 (0.48) | HSP90AA1ANPEPTP53PDE10AMAOB | |
| SCHEMBL21644656 | 0.86 | SMN1; SMN2 (0.53) | HSP90AA1LMNAHSP90AB1CNR2HDAC3 | |
| SCHEMBL21644655 | 0.86 | HSP90AA1 (0.64) | HSP90AA1TP53LMNAHSP90AB1 | |
| SCHEMBL21644658 | 0.79 | HPGD (0.52) | HSP90AA1MAOBMAPTLMNAHSP90AB1 | |
| SCHEMBL21644609 | 0.79 | SMN1; SMN2 (0.54) | MAOBHDAC3HDAC1HDAC7HDAC6 | |
| SCHEMBL30779662 | 0.77 | HSP90AA1 (0.76) | HSP90AA1LMNAHDAC3HDAC1HDAC7 | |
| SCHEMBL21644595 | 0.77 | HSP90AA1 (0.76) | HSP90AA1LMNAHDAC3HDAC1HDAC7 | |
| SCHEMBL22972356 | 0.77 | MT-CO2 (0.50) | TP53PDE10AMAOBEPHX2MAPT | |
| SCHEMBL21644520 | 0.77 | LMNA (0.55) | TP53PDE10AMAOBMAPTLMNA | |
| SCHEMBL30779518 | 0.77 | LMNA (0.55) | TP53PDE10AMAOBMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-111164074-B | Heat shock protein 90 inhibitors | 台北医学大学 | 2024-02-02 | — | — | CN | disclosed |