Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | GHSR | Q92847 | 2/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | GLI1 | P08151 | 1/20 | 0.42 |
| ▸ | GLI2 | P10070 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL22418878 | 0.88 | SLC6A2 (0.50) | ENPP2GLI1GLI2SLC6A2SLC6A4 | |
| SCHEMBL14487695 | 0.78 | ENPP2 (0.53) | KDM4EALDH1A1ENPP2HPGDHSD17B10 | |
| SCHEMBL6166853 | 0.76 | SLC6A2 (0.48) | ENPP2GLI1GLI2SLC6A2SLC6A4 | |
| SCHEMBL19778 | 0.73 | NPSR1 (0.70) | ALDH1A1HPGDMAPTNPSR1 | |
| SCHEMBL15552410 | 0.73 | RAB9A (0.55) | KDM4EALDH1A1HPGD | |
| SCHEMBL30026712 | 0.73 | MAOA (0.64) | KDM4EALDH1A1ENPP2HPGDHSD17B10 | |
| SCHEMBL27534535 | 0.72 | ENPP2 (0.50) | KDM4EALDH1A1ENPP2HPGDHSD17B10 | |
| SCHEMBL3425918 | 0.72 | GLI1 (0.55) | KDM4EALDH1A1ENPP2HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL5094831 | 0.71 | NPSR1 (0.67) | ALDH1A1HPGDMAPTNPSR1 | |
| Bromide SCHEMBL31210017 | 0.71 | NPSR1 (0.67) | ALDH1A1HPGDMAPTNPSR1 |
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-2035396-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | Synta Pharmaceuticals Corporation (US) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007139967-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | SYNTA PHARMACEUTICALS CORP. (US) | 2007-12-06 | — | — | WO | disclosed |