Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 8/20 | 0.46 |
| ▸ | NOS1 | P29475 | 6/20 | 0.46 |
| ▸ | NOS3 | P29474 | 5/20 | 0.46 |
| ▸ | GSR | P00390 | 1/20 | 0.41 |
| ▸ | DDAH1 | O94760 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ARG2 | P78540 | 4/20 | 0.38 |
| ▸ | ARG1 | P05089 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8614937 | 0.90 | NOS2 (0.38) | NOS2NOS1NOS3GSRKMT2A | |
| SCHEMBL2713441 | 0.82 | HDAC6 (0.35) | NOS2NOS1NOS3MEN1KMT2A | |
| SCHEMBL15327770 | 0.82 | HDAC1 (0.34) | NOS2NOS1NOS3 | |
| SCHEMBL17607024 | 0.81 | GSR (0.44) | NOS2NOS1NOS3GSRDDAH1 | |
| SCHEMBL2419347 | 0.81 | GSR (0.44) | NOS2NOS1NOS3GSRDDAH1 | |
| SCHEMBL14976012 | 0.81 | CA14 (0.37) | MEN1KMT2AGAA | |
| SCHEMBL12541003 | 0.80 | NOS2 (0.53) | NOS2NOS1NOS3GSRDDAH1 | |
| SCHEMBL12540999 | 0.80 | NOS2 (0.53) | NOS2NOS1NOS3GSRDDAH1 | |
| Hydrochloric Acid SCHEMBL28418182 | 0.79 | NOS2 (0.51) | NOS2NOS1NOS3GSRDDAH1 | |
| SCHEMBL28438295 | 0.79 | GSR (0.42) | NOS2NOS1NOS3GSRDDAH1 |
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 |