Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
| ▸ | TYK2 | P29597 | 1/20 | 0.47 |
| ▸ | JAK3 | P52333 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | USP7 | Q93009 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9762462 | 0.79 | CYP2A6 (0.70) | BACE1CYP2A6HSP90AA1HSP90AB1JAK2 | |
| SCHEMBL3362961 | 0.79 | PIK3C3 (0.61) | BACE1CYP2A6HSP90AA1HSP90AB1JAK2 | |
| SCHEMBL1337137 | 0.78 | CYP2A6 (0.56) | BACE1CYP2A6HSP90AA1HSP90AB1JAK2 | |
| SCHEMBL16150268 | 0.78 | CYP2A6 (0.56) | BACE1CYP2A6HSP90AA1HSP90AB1JAK2 | |
| SCHEMBL28170247 | 0.77 | USP7 (0.48) | BACE1CYP2A6HSP90AA1HSP90AB1JAK2 | |
| Ammonia Solution, Strong SCHEMBL7878002 | 0.77 | BACE1 (0.50) | BACE1CYP2A6HSP90AA1HSP90AB1NPC1 | |
| SCHEMBL19794340 | 0.77 | HSP90AA1 (0.56) | BACE1CYP2A6HSP90AA1HSP90AB1JAK2 | |
| SCHEMBL7709062 | 0.75 | BACE1 (0.57) | BACE1HSP90AA1JAK3NPC1RAB9A | |
| SCHEMBL7708786 | 0.75 | BACE1 (0.57) | BACE1NPC1RAB9ASMN1; SMN2ALOX5AP | |
| SCHEMBL19537421 | 0.75 | CYP2A6 (0.52) | BACE1CYP2A6HSP90AA1HSP90AB1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6355653-B1 | DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS | HOFFMANN-LA ROCHE INC. | 2002-03-12 | — | — | US | disclosed |