Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 14/20 | 0.49 |
| ▸ | MET | P08581 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.39 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.39 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21644702 | 1.00 | HSP90AA1 (0.49) | HSP90AA1METCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21644565 | 0.92 | HSP90AA1 (0.49) | HSP90AA1METCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21644695 | 0.92 | CYP3A4 (0.55) | HSP90AA1METCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL30779548 | 0.92 | CYP3A4 (0.55) | HSP90AA1METCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21644511 | 0.84 | HSP90AA1 (0.48) | HSP90AA1METCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL30779532 | 0.84 | HSP90AA1 (0.48) | HSP90AA1METCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21644562 | 0.83 | MET (0.58) | HSP90AA1METCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL30779610 | 0.83 | HSP90AA1 (0.41) | HSP90AA1METCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21644523 | 0.83 | HSP90AA1 (0.41) | HSP90AA1METCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21644714 | 0.81 | MET (0.58) | HSP90AA1METCYP3A4CYP2C9CYP2C19 |
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 |