Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 12/20 | 0.66 |
| ▸ | NOS1 | P29475 | 3/20 | 0.57 |
| ▸ | NOS2 | P35228 | 3/20 | 0.57 |
| ▸ | NOS3 | P29474 | 2/20 | 0.57 |
| ▸ | CTSD | P07339 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.47 |
| ▸ | CDK8 | P49336 | 1/20 | 0.46 |
| ▸ | NCK1 | P16333 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20047226 | 0.86 | BACE1 (0.64) | BACE1NOS1NOS2NOS3CTSD | |
| SCHEMBL22926832 | 0.80 | BACE1 (1.00) | BACE1NOS2CTSDPLAUNCK1 | |
| SCHEMBL28003858 | 0.76 | HRH3 (0.43) | BACE1NOS1NOS2NOS3CDK8 | |
| SCHEMBL3791745 | 0.75 | LOXL2 (0.60) | NOS1NOS2NOS3PLAUCDK8 | |
| SCHEMBL20047045 | 0.74 | NCF1 (0.69) | BACE1NOS1CTSDNCK1 | |
| SCHEMBL3794460 | 0.73 | TAAR1 (0.70) | NOS1NOS2NOS3CDK8 | |
| SCHEMBL3387430 | 0.72 | NOS3 (0.50) | NOS1NOS2NOS3CDK8 | |
| SCHEMBL3720966 | 0.72 | LOXL2 (0.56) | NOS1NOS2NOS3 | |
| SCHEMBL22511690 | 0.72 | NOS1 (0.65) | BACE1NOS1NOS2NOS3 | |
| SCHEMBL28247968 | 0.72 | KARS1 (0.52) | BACE1NOS1NOS2NOS3PLAU |
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-2017223514-A9 | LXR INVERSE AGONISTS FOR TREATMENT OF CANCER | SAINT LOUIS UNIVERSITY (US) | 2018-04-12 | — | — | WO | disclosed |