Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.54 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.54 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | IGF1R | P08069 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.43 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.43 |
| ▸ | TUBB | P07437 | 1/20 | 0.43 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.43 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.43 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.43 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.43 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21644611 | 1.00 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1CALM1ESR1CYP19A1 | |
| SCHEMBL30779600 | 0.83 | PTGS1 (0.47) | HSP90AA1HSP90AB1ALOX15SLC5A1SLC5A2 | |
| SCHEMBL21644526 | 0.83 | PTGS1 (0.47) | HSP90AA1HSP90AB1ALOX15SLC5A1SLC5A2 | |
| SCHEMBL21678005 | 0.81 | TRPV1 (0.51) | HSP90AA1HSP90AB1ALOX15IGF1R | |
| SCHEMBL30779635 | 0.78 | TUBB4A (0.52) | CYP19A1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL21644522 | 0.78 | TUBB4A (0.52) | CYP19A1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL227115 | 0.78 | ESR1 (0.73) | CALM1ESR1CYP19A1ESR2ALOX15 | |
| SCHEMBL29492427 | 0.75 | ESR1 (0.69) | CALM1ESR1CYP19A1ESR2ALOX15 | |
| SCHEMBL1847390 | 0.75 | ESR1 (0.69) | CALM1ESR1CYP19A1ESR2ALOX15 | |
| SCHEMBL4736569 | 0.73 | ESR1 (0.82) | CALM1ESR1CYP19A1ESR2ALOX15 |
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 |