Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 9/20 | 0.48 |
| ▸ | NOS2 | P35228 | 7/20 | 0.48 |
| ▸ | NOS3 | P29474 | 5/20 | 0.48 |
| ▸ | BACE1 | P56817 | 5/20 | 0.40 |
| ▸ | BACE2 | Q9Y5Z0 | 5/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 6/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 5/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 4/20 | 0.35 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.35 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13177614 | 0.96 | NOS1 (0.50) | NOS1NOS2NOS3BACE1BACE2 | |
| SCHEMBL14716739 | 0.73 | BACE1 (0.34) | NOS1NOS2BACE1BACE2GABRA1 | |
| SCHEMBL12500619 | 0.69 | GABRA1 (0.38) | NOS1NOS2BACE1BACE2GABRA1 | |
| SCHEMBL6879234 | 0.69 | GABRA1 (0.38) | NOS1NOS2BACE1BACE2GABRA1 | |
| SCHEMBL8280880 | 0.69 | BACE1 (0.42) | NOS1NOS2NOS3BACE1BACE2 | |
| SCHEMBL968023 | 0.67 | NOS1 (0.34) | NOS1NOS2NOS3 | |
| SCHEMBL8280905 | 0.67 | BACE1 (0.46) | NOS2NOS3BACE1BACE2 | |
| SCHEMBL966135 | 0.67 | NOS1 (0.37) | NOS1NOS2NOS3 | |
| SCHEMBL967249 | 0.66 | BACE1 (0.34) | NOS1NOS2NOS3BACE1BACE2 | |
| SCHEMBL8280886 | 0.66 | BACE1 (0.42) | NOS2NOS3BACE1BACE2 |
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-1996014842-A1 | SUBSTITUTED HETEROCYCLES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | claimed |