Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 3/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | GSR | P00390 | 2/20 | 0.37 |
| ▸ | GRM8 | O00222 | 1/20 | 0.37 |
| ▸ | GRM6 | O15303 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.37 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.37 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8616170 | 0.90 | NOS2 (0.46) | NOS2NOS3NOS1GSRCYP1A2 | |
| SCHEMBL17607024 | 0.78 | GSR (0.44) | NOS2NOS3NOS1GSRCYP1A2 | |
| SCHEMBL2419347 | 0.78 | GSR (0.44) | NOS2NOS3NOS1GSRCYP1A2 | |
| SCHEMBL27885574 | 0.77 | CTSK (0.32) | — | |
| SCHEMBL12540999 | 0.76 | NOS2 (0.53) | NOS2NOS3NOS1GSRCYP1A2 | |
| SCHEMBL12541003 | 0.76 | NOS2 (0.53) | NOS2NOS3NOS1GSRCYP1A2 | |
| SCHEMBL30104066 | 0.75 | GSR (0.42) | NOS2NOS3NOS1GSRCYP1A2 | |
| SCHEMBL28438295 | 0.75 | GSR (0.42) | NOS2NOS3NOS1GSRCYP1A2 | |
| SCHEMBL15327770 | 0.75 | HDAC1 (0.34) | NOS2NOS3NOS1 | |
| SCHEMBL28460340 | 0.75 | GSR (0.42) | NOS2NOS3NOS1GSRCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5710324-A | AMINE CONTAINING COMPOUNDS | MERRELL PHARMACEUTICALS INC. (US) | 1998-01-20 | — | — | US | disclosed |
| US-5318992-A | Administering for the treatment of hypotensive conditions and shock | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-06-07 | — | — | US | disclosed |
| EP-0446699-A1 | Inhibitors of nitric oxide biosynthesis | MERRELL PHARMACEUTICALS INC. (US) | 1991-09-18 | — | — | EP | disclosed |