Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | CASP1 | P29466 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | CASP6 | P55212 | 1/20 | 0.47 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6280393 | 1.00 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1KDM4ECASP1THRB | |
| SCHEMBL4727368 | 1.00 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1KDM4ECASP1THRB | |
| SCHEMBL5086470 | 0.93 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1KDM4ECASP1THRB | |
| SCHEMBL5086556 | 0.90 | KDM4E (0.52) | HSP90AA1HSP90AB1KDM4ECASP1THRB | |
| SCHEMBL4729756 | 0.90 | KDM4E (0.49) | HSP90AA1HSP90AB1KDM4ECASP1THRB | |
| SCHEMBL4727369 | 0.85 | KDM4E (0.48) | HSP90AA1HSP90AB1KDM4ECASP1THRB | |
| SCHEMBL5086463 | 0.84 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1KDM4ECASP1THRB | |
| SCHEMBL6268435 | 0.83 | KDM4E (0.47) | HSP90AA1HSP90AB1KDM4ECASP1THRB | |
| SCHEMBL5080647 | 0.83 | MAOA (0.66) | HSP90AA1HSP90AB1KDM4ECASP1THRB | |
| SCHEMBL6276764 | 0.82 | KDM4E (0.46) | HSP90AA1HSP90AB1KDM4ECASP1THRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1606263-A1 | RING-SUBSTITUTED 8-AMINOQUINOLINE DERIVATIVES AS ANTIMALARIAL AGENTS | Council of Scientific and Industrial Research (IN) | 2005-12-21 | — | — | EP | disclosed |
| WO-2004085402-A1 | RING-SUBSTITUTED 8-AMINOQUNOLINE DERIVATES AS ANTIMALARIAL AGENTS | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2004-10-07 | — | — | WO | disclosed |