Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 5/20 | 0.48 |
| ▸ | NOS1 | P29475 | 5/20 | 0.48 |
| ▸ | NOS2 | P35228 | 5/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL5833230 | 0.87 | NOS3 (0.67) | NOS3NOS1NOS2ABCB1ABCC1 | |
| SCHEMBL5833602 | 0.85 | NOS3 (0.67) | NOS3NOS1NOS2ABCB1ABCC1 | |
| SCHEMBL5833244 | 0.76 | NOS3 (0.64) | NOS3NOS1NOS2ABCB1ATM | |
| SCHEMBL5833404 | 0.72 | NOS3 (0.76) | NOS3NOS1NOS2ATMPOLB | |
| SCHEMBL29500447 | 0.66 | KCNH2 (0.45) | NOS3NOS1NOS2POLBMAPT | |
| SCHEMBL22133123 | 0.66 | KCNH2 (0.45) | NOS3NOS1NOS2POLBMAPT | |
| SCHEMBL5833606 | 0.65 | NOS3 (1.00) | NOS3NOS1NOS2 | |
| SCHEMBL5834287 | 0.65 | NOS3 (1.00) | NOS3NOS1NOS2 | |
| SCHEMBL9624316 | 0.65 | GNRHR (0.45) | ATMPOLBKDM4EPKM | |
| SCHEMBL5833081 | 0.64 | NOS3 (0.84) | NOS3NOS1NOS2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1109556-A2 | NEW PHARMACEUTICAL USES FOR NOS INHIBITORS | Pfizer Products Inc. (US) | 2001-06-27 | — | — | EP | disclosed |
| EP-1007520-A1 | 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS | Pfizer Products Inc. (US) | 2000-06-14 | — | — | EP | disclosed |
| WO-2000009130-A2 | NEW PHARMACEUTICAL USES FOR NOS INHIBITORS | PFIZER PRODUCTS INC. (US) | 2000-02-24 | — | — | WO | disclosed |
| WO-1999010339-A1 | 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS | PFIZER PRODUCTS INC. (US) | 1999-03-04 | — | — | WO | disclosed |