Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25763275 | 0.83 | KDM4E (0.34) | GRM5MAPKAPK2NOS3NOS2UHRF1 | |
| SCHEMBL18824620 | 0.78 | ADORA2A (0.37) | GRM5PDPK1MAP4K4ADORA2A | |
| SCHEMBL31362142 | 0.78 | ADORA2A (0.37) | GRM5PDPK1MAP4K4ADORA2A | |
| SCHEMBL17084504 | 0.77 | JAK3 (0.35) | PDPK1NOS3NOS2CYP1A2CYP3A4 | |
| SCHEMBL27180300 | 0.77 | MAPKAPK2 (0.41) | GRM5MAPKAPK2 | |
| SCHEMBL16346270 | 0.77 | ADORA2A (0.33) | PDPK1MAP4K4ADORA2A | |
| SCHEMBL24457887 | 0.74 | NOS3 (0.30) | NOS3NOS2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12648083 | 0.74 | — | — | |
| SCHEMBL30716708 | 0.74 | — | — | |
| SCHEMBL9926609 | 0.73 | CYP3A4 (0.33) | PDPK1NOS3NOS2KDM4ECYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3778599-A2 | PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2021-02-17 | — | — | EP | disclosed |
| EP-3778598-A2 | PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2021-02-17 | — | — | EP | disclosed |
| EP-3016949-B1 | PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2020-05-13 | — | — | EP | disclosed |