Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL27696266 | 1.00 | NOS1 (0.35) | NOS1NOS3NOS2CYP2D6CA1 | |
| SCHEMBL27437737 | 0.83 | NOS1 (0.36) | NOS1NOS3NOS2CYP2D6CA1 | |
| SCHEMBL763872 | 0.81 | GABRP (0.41) | NOS1NOS3NOS2CYP2D6CA1 | |
| SCHEMBL16350129 | 0.81 | GABRP (0.41) | NOS1NOS3NOS2CYP2D6CA1 | |
| SCHEMBL27586297 | 0.78 | MEN1 (0.36) | NOS1NOS3NOS2 | |
| SCHEMBL9644345 | 0.77 | NOS1 (0.32) | NOS1NOS3NOS2 | |
| SCHEMBL27535928 | 0.75 | CA1 (0.36) | NOS1NOS3NOS2CYP2D6CA1 | |
| SCHEMBL19919876 | 0.75 | CPB2 (0.41) | NOS1NOS3NOS2CA1CA2 | |
| SCHEMBL27899114 | 0.75 | CYP2D6 (0.36) | NOS1NOS3NOS2CYP2D6CA1 | |
| SCHEMBL28795933 | 0.74 | CTSK (0.44) | CA1CA2CTSK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101035770-B | 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) | JANSSEN PHARMACEUTICA NV | 2011-02-23 | — | — | CN | disclosed |
| CN-101035770-A | Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2007-09-12 | — | — | CN | disclosed |
| CN-101035771-A | 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2007-09-12 | — | — | CN | disclosed |