Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 2/20 | 0.35 |
| ▸ | AKT2 | P31751 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | LTK | P29376 | 2/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | GRK5 | P34947 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | MST1R | Q04912 | 1/20 | 0.33 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL218119 | 0.73 | ALOX15 (0.52) | ALDH1A1PARP1AKT1AKT2ALOX15 | |
| SCHEMBL544598 | 0.71 | MAP4K4 (0.48) | ALDH1A1AKT1AKT2ALOX15LTK | |
| SCHEMBL31060493 | 0.71 | GSK3B (0.42) | ALDH1A1LTKCLK4DYRK1BDYRK1A | |
| SCHEMBL2581914 | 0.69 | BACE1 (0.44) | ALDH1A1PARP1AKT1AKT2ALOX15 | |
| SCHEMBL3379956 | 0.69 | AKT2 (0.44) | ALDH1A1AKT1AKT2ALOX15LRRK2 | |
| SCHEMBL28197453 | 0.69 | ALOX15 (0.43) | ALDH1A1PARP1AKT1AKT2ALOX15 | |
| SCHEMBL25272042 | 0.69 | CYP2A6 (0.43) | ALDH1A1PARP1AKT1AKT2ALOX15 | |
| SCHEMBL6971232 | 0.69 | AKT1 (0.39) | ALDH1A1PARP1AKT1AKT2ALOX15 | |
| SCHEMBL948199 | 0.69 | KDM4E (0.50) | ALDH1A1KDM4EHTTCYP1A2LMNA | |
| SCHEMBL5953382 | 0.69 | ALDH1A1 (0.39) | ALDH1A1PARP1AKT1AKT2ALOX15 |
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-2021158638-A1 | ARYLAZO-HETEROARYL COMPOUNDS AND THEIR USE FOR LONG-TERM THERMAL ENERGY STORAGE | BRANDEIS UNIVERSITY (US) | 2021-08-12 | — | — | WO | disclosed |