Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | PI4KA | P42356 | 1/20 | 0.32 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.32 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.32 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21065499 | 0.66 | CYP2A6 (0.37) | CYP2A6CYP2E1CYP3A4PI4KAPI4K2B | |
| SCHEMBL21065506 | 0.65 | CYP11B2 (0.36) | CYP2A6CYP11B2CYP11B1CYP3A4HDAC1 | |
| SCHEMBL21065490 | 0.65 | EP300 (0.37) | CYP2A6CYP11B2CYP11B1CYP2E1CYP3A4 | |
| SCHEMBL20241931 | 0.64 | CYP2A6 (0.44) | CYP2A6CYP2E1CYP3A4 | |
| SCHEMBL18284784 | 0.62 | CYP2A6 (0.51) | CYP2A6CYP11B2CYP2E1CYP3A4PI4KA | |
| SCHEMBL9300546 | 0.62 | MAPT (0.49) | L3MBTL1 | |
| SCHEMBL7532910 | 0.60 | CHRNB2 (0.56) | CYP2A6CYP3A4 | |
| SCHEMBL4791233 | 0.60 | CYP11B2 (0.41) | CYP2A6CYP11B2CYP11B1CYP3A4PI4KA | |
| SCHEMBL29626231 | 0.59 | CYP2A6 (0.41) | CYP2A6CYP2E1CYP3A4 | |
| SCHEMBL27977591 | 0.59 | CYP2A6 (0.41) | CYP2A6CYP2E1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3319943-B1 | NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2019-06-26 | — | — | EP | disclosed |