Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 8/20 | 0.56 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MET | P08581 | 1/20 | 0.44 |
| ▸ | EZH2 | Q15910 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21644677 | 1.00 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL21644517 | 0.90 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL20509059 | 0.86 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL21644710 | 0.86 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1RAB9AL3MBTL1HPGD | |
| SCHEMBL30779632 | 0.86 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1RAB9AL3MBTL1HPGD | |
| SCHEMBL30779550 | 0.84 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL21644579 | 0.84 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL21644530 | 0.83 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL21644660 | 0.82 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL21644618 | 0.81 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1CYP3A4CYP2C9CYP2B6 |
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 |