Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 5/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | XIAP | P98170 | 1/20 | 0.33 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18650428 | 1.00 | NOS3 (0.42) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL21728791 | 0.82 | NOS3 (0.43) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL14647734 | 0.78 | ADRA2A (0.37) | ADRA2AADRA2BADRA2CKDM4E | |
| SCHEMBL17827985 | 0.78 | ESR1 (0.43) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL19445223 | 0.77 | NOS3 (0.50) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL20447442 | 0.77 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CPLAUS1PR2 | |
| SCHEMBL1440342 | 0.77 | APLNR (0.45) | HDAC6APLNR | |
| SCHEMBL1440344 | 0.77 | APLNR (0.45) | HDAC6APLNR | |
| SCHEMBL12460964 | 0.77 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CPLAURAB9A | |
| SCHEMBL15241001 | 0.77 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CPLAURAB9A |
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-2012064269-A1 | COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES | ASTRAZENECA AB (SE) | 2012-05-18 | — | — | WO | disclosed |