Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 5/20 | 0.42 |
| ▸ | NOS1 | P29475 | 4/20 | 0.42 |
| ▸ | BACE1 | P56817 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 3/20 | 0.38 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL7408836 | 0.81 | HRH1 (0.43) | NOS2NOS1KCNH2MBOAT4KDM1A | |
| Hydrochloric Acid SCHEMBL6431866 | 0.79 | HRH1 (0.42) | NOS2NOS1KCNH2MBOAT4KDM1A | |
| SCHEMBL4718869 | 0.79 | NOS1 (0.46) | NOS2NOS1BACE1KCNH2APP | |
| SCHEMBL14835968 | 0.79 | KCNH2 (0.44) | NOS2NOS1KCNH2MBOAT4KDM1A | |
| SCHEMBL42140 | 0.77 | — | — | |
| SCHEMBL7795635 | 0.77 | NOS1 (0.46) | NOS2NOS1BACE1KCNH2APP | |
| SCHEMBL11904336 | 0.77 | KCNH2 (0.62) | NOS2KCNH2MBOAT4KDM1AMAOA | |
| SCHEMBL1269597 | 0.77 | KCNH2 (0.62) | NOS2NOS1BACE1KCNH2APP | |
| SCHEMBL7443082 | 0.77 | KCNH2 (0.42) | KCNH2MBOAT4KDM1AMAOAMAOB | |
| SCHEMBL99681 | 0.76 | HRH1 (0.47) | NOS2NOS1KCNH2MBOAT4KDM1A |
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-2013026866-A2 | NOVEL MICROBIOCIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2013-02-28 | — | — | WO | disclosed |