Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 11/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19554562 | 0.80 | CYP1A2 (0.44) | ADORA2AADORA1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL27916951 | 0.80 | AXL (0.38) | ADORA2AADORA1HTTMAPTAXL | |
| SCHEMBL31077756 | 0.76 | POLB (0.40) | HTTMAPTPOLB | |
| SCHEMBL5334843 | 0.74 | ADORA2A (0.50) | ADORA2AADORA1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL18711728 | 0.74 | HTT (0.32) | ADORA2AADORA1SMN1; SMN2HTTMAPT | |
| SCHEMBL31612721 | 0.73 | ADORA2A (0.41) | ADORA2AADORA1POLB | |
| SCHEMBL9379635 | 0.73 | SPR (0.40) | ADORA2AADORA1MAPT | |
| SCHEMBL2973054 | 0.73 | ADORA2A (0.41) | ADORA2AADORA1MAPTADORA2BADORA3 | |
| SCHEMBL9379712 | 0.72 | LCK (0.40) | ADORA2AADORA1NPC1MAPT | |
| SCHEMBL4849634 | 0.72 | MAPT (0.45) | ADORA2AADORA1SMN1; SMN2MAPTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |