Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 8/20 | 0.38 |
| ▸ | BACE1 | P56817 | 5/20 | 0.38 |
| ▸ | BCHE | P06276 | 6/20 | 0.36 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18351656 | 0.79 | ACHE (0.56) | NQO1ACHEBACE1BCHEALDH1A1 | |
| SCHEMBL20134568 | 0.79 | NQO1 (0.41) | NQO1ACHEBACE1BCHE | |
| SCHEMBL278519 | 0.77 | NQO1 (0.56) | NQO1ACHEBACE1ESR1ESR2 | |
| SCHEMBL18358157 | 0.73 | BACE1 (0.63) | NQO1ACHEBACE1BCHE | |
| SCHEMBL20134473 | 0.72 | ACHE (0.51) | NQO1ACHEBACE1BCHE | |
| SCHEMBL20153572 | 0.72 | ACHE (0.68) | ACHEBACE1BCHECYP3A4 | |
| SCHEMBL18351653 | 0.68 | ACHE (0.81) | NQO1ACHEBACE1BCHE | |
| SCHEMBL278516 | 0.65 | NQO1 (1.00) | NQO1BACE1ESR1ESR2GAA | |
| SCHEMBL13297165 | 0.65 | NQO1 (0.68) | NQO1ACHEBACE1ESR1ESR2 | |
| SCHEMBL1353030 | 0.64 | ACHE (0.74) | NQO1ACHEBACE1BCHE |
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-2018089692-A1 | ECKOL DERIVATIVES, METHODS OF SYNTHESIS AND USES THEREOF | Phloronol, Inc. (US) | 2018-05-17 | — | — | WO | disclosed |