Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 9/20 | 0.63 |
| ▸ | BACE1 | P56817 | 9/20 | 0.63 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.61 |
| ▸ | ENPP1 | P22413 | 7/20 | 0.61 |
| ▸ | AURKA | O14965 | 1/20 | 0.58 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.57 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4779400 | 0.99 | ACHE (0.61) | ACHEBACE1PDE10AENPP1AURKA | |
| SCHEMBL4726710 | 0.97 | ENPP1 (0.65) | ACHEBACE1PDE10AENPP1AURKA | |
| SCHEMBL3873291 | 0.88 | ACHE (0.78) | ACHEBACE1PDE10AENPP1AURKA | |
| SCHEMBL5518977 | 0.87 | ACHE (0.76) | ACHEBACE1PDE10AENPP1AURKA | |
| SCHEMBL13529592 | 0.84 | ACHE (0.80) | ACHEBACE1PDE10AENPP1AURKA | |
| SCHEMBL11882354 | 0.82 | ACHE (0.88) | ACHEBACE1PDE10AENPP1AURKA | |
| SCHEMBL23762347 | 0.81 | ENPP1 (0.85) | ACHEBACE1PDE10AENPP1AURKA | |
| SCHEMBL29055014 | 0.81 | ACHE (0.64) | ACHEBACE1ENPP1AURKAPDGFRB | |
| SCHEMBL25656495 | 0.81 | ENPP1 (0.59) | ACHEBACE1PDE10AENPP1AURKA | |
| Hydrochloric Acid SCHEMBL30079993 | 0.80 | ENPP1 (0.84) | ACHEBACE1PDE10AENPP1AURKA |
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-2008020302-A2 | HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS | PFIZER PRODUCTS INC. (US) | 2008-02-21 | — | — | WO | disclosed |