Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 15/20 | 0.65 |
| ▸ | CTSD | P07339 | 1/20 | 0.53 |
| ▸ | NCK1 | P16333 | 1/20 | 0.51 |
| ▸ | PLAU | P00749 | 1/20 | 0.50 |
| ▸ | NCF1 | P14598 | 4/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | HCK | P08631 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.42 |
| ▸ | PRKDC | P78527 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22926832 | 0.79 | BACE1 (1.00) | BACE1CTSDNCK1PLAUNCF1 | |
| SCHEMBL28147640 | 0.78 | ESR1 (0.44) | — | |
| SCHEMBL10366751 | 0.78 | ADORA1 (0.40) | BACE1NCF1PIK3CDPIK3CAPIK3CB | |
| SCHEMBL20047185 | 0.77 | NCF1 (0.75) | BACE1CTSDNCK1PLAUNCF1 | |
| SCHEMBL7702979 | 0.74 | DYRK1A (0.46) | — | |
| SCHEMBL5478956 | 0.71 | BACE1 (0.62) | BACE1CTSDNCK1PLAUNCF1 | |
| SCHEMBL27960721 | 0.71 | BACE1 (0.57) | BACE1CTSDNCK1PLAUNCF1 | |
| SCHEMBL21898203 | 0.71 | ESR1 (0.55) | — | |
| SCHEMBL12260044 | 0.71 | ESR1 (0.42) | — | |
| SCHEMBL20047226 | 0.70 | BACE1 (0.64) | BACE1CTSDNCK1PLAUNCF1 |
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 |