Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 10/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 12/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | HTR1F | P30939 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21644544 | 1.00 | CFTR (0.50) | CFTRHSP90AB1HSP90AA1MAOBHDAC8 | |
| SCHEMBL21644550 | 0.91 | HSP90AA1 (0.50) | HSP90AB1HSP90AA1MAOBMEN1NPC1 | |
| SCHEMBL28418057 | 0.81 | CFTR (0.53) | CFTRMAOBHTR1AHTR1DHTR1B | |
| SCHEMBL21644666 | 0.79 | CHRNA7 (0.42) | HSP90AB1HSP90AA1BCL2 | |
| SCHEMBL21644511 | 0.76 | HSP90AA1 (0.48) | HSP90AB1HSP90AA1HDAC8HDAC3HDAC1 | |
| SCHEMBL30779532 | 0.76 | HSP90AA1 (0.48) | HSP90AB1HSP90AA1HDAC8HDAC3HDAC1 | |
| SCHEMBL21644638 | 0.76 | AKR1C3 (0.44) | HSP90AB1HSP90AA1BCL2NPC1RAB9A | |
| SCHEMBL13808318 | 0.76 | HTR2C (0.46) | HSP90AB1HSP90AA1MAOBMEN1NPC1 | |
| SCHEMBL21644600 | 0.75 | ESR1 (0.51) | CFTRHSP90AB1HSP90AA1HDAC8BCL2 | |
| SCHEMBL30779594 | 0.75 | ESR1 (0.51) | CFTRHSP90AB1HSP90AA1HDAC8BCL2 |
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 |