Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | FBP1 | P09467 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | MC5R | P33032 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | CCR2 | P41597 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL5039983 | 0.74 | PI4KA (0.56) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL27774840 | 0.71 | PI4KA (0.44) | ADORA3PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL1964689 | 0.69 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1 | |
| Benzothiazyl Disulfide SCHEMBL29356396 | 0.67 | ALDH1A1 (1.00) | HPGDFBP1ALDH1A1ALOX15HSD17B10 | |
| Benzothiazyl Disulfide SCHEMBL23527 | 0.67 | ALDH1A1 (1.00) | HPGDFBP1ALDH1A1ALOX15HSD17B10 | |
| Benzothiazyl Disulfide SCHEMBL11095350 | 0.67 | ALDH1A1 (1.00) | HPGDFBP1ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL258584 | 0.66 | ADORA2A (0.59) | ADORA3PI4KAPI4K2BPI4K2API4KB | |
| Benzothiazyl Disulfide SCHEMBL3787918 | 0.65 | ALDH1A1 (0.96) | HPGDFBP1ALDH1A1ALOX15HSD17B10 | |
| Benzothiazyl Disulfide SCHEMBL8609896 | 0.65 | ALDH1A1 (0.96) | HPGDFBP1ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL8203421 | 0.65 | ALDH1A1 (0.79) | HPGDFBP1ALDH1A1ALOX15HSD17B10 |
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-101505762-A | Orally active purinyl inhibitors of heat shock protein 90 | CONFORMA THERAPEUTICS CORP (US) | 2009-08-12 | — | — | CN | disclosed |