Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 8/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27873148 | 0.85 | HSP90AA1 (0.47) | HSP90AA1KDM4EGABRA1GABRG2GABRB3 | |
| SCHEMBL421583 | 0.84 | HSP90AA1 (0.53) | HSP90AA1KDM4EALDH1A1NPC1MAPT | |
| SCHEMBL425541 | 0.84 | HSP90AA1 (0.51) | HSP90AA1KDM4EPDE10AALDH1A1NPC1 | |
| SCHEMBL2182391 | 0.79 | PDGFRB (0.40) | HSP90AA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL1394528 | 0.78 | HSP90AA1 (0.52) | HSP90AA1 | |
| SCHEMBL1394538 | 0.77 | HSP90AA1 (0.53) | HSP90AA1KDM4EALDH1A1GAAHPGD | |
| SCHEMBL418796 | 0.77 | HSP90AA1 (0.53) | HSP90AA1 | |
| SCHEMBL421243 | 0.76 | HSP90AA1 (0.62) | HSP90AA1 | |
| SCHEMBL420425 | 0.76 | HSP90AA1 (0.75) | HSP90AA1 | |
| SCHEMBL420426 | 0.76 | HSP90AA1 (0.75) | HSP90AA1 |
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-102439003-A | Indazole derivatives inhibiting HSP90, compositions containing said derivatives and uses thereof | SANOFI AVENTIS | 2012-05-02 | — | — | CN | disclosed |