Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.68 |
| ▸ | PTPRC | P08575 | 1/20 | 0.57 |
| ▸ | DPP4 | P27487 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HBB | P68871 | 1/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.50 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 3/20 | 0.47 |
| ▸ | FGR | P09769 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.47 |
| ▸ | CSNK1D | P48730 | 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 | |
|---|---|---|---|---|
| SCHEMBL5585492 | 0.94 | ADORA2A (0.70) | ADORA2APTPRCDPP4MAPK1ALDH1A1 | |
| SCHEMBL122019 | 0.89 | ADORA2A (0.83) | ADORA2APTPRCDPP4MAPK1ALDH1A1 | |
| SCHEMBL12258322 | 0.89 | ALDH1A1 (0.54) | ADORA2APTPRCMAPK1ALDH1A1TSHR | |
| SCHEMBL10705846 | 0.85 | ALDH1A1 (0.72) | ADORA2APTPRCDPP4MAPK1ALDH1A1 | |
| Anthraquinone SCHEMBL9340101 | 0.85 | ADORA2A (0.91) | ADORA2APTPRCMAPK1ALDH1A1TSHR | |
| SCHEMBL9817620 | 0.85 | ADORA2A (0.69) | ADORA2APTPRCDPP4MAPK1ALDH1A1 | |
| SCHEMBL11307432 | 0.83 | ALDH1A1 (0.50) | ADORA2APTPRCDPP4MAPK1ALDH1A1 | |
| SCHEMBL29944895 | 0.83 | ADORA2A (0.86) | ADORA2APTPRCDPP4MAPK1ALDH1A1 | |
| SCHEMBL21840830 | 0.83 | ADORA2A (0.78) | ADORA2APTPRCDPP4MAPK1ALDH1A1 | |
| SCHEMBL5866516 | 0.83 | ADORA2A (0.71) | ADORA2APTPRCDPP4MAPK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002030906-A1 | ANTI-TUMOUR COMPOUNDS | LA TROBE UNIVERSITY (AU) | 2002-04-18 | — | — | WO | disclosed |