Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | KMO | O15229 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL363984 | 0.81 | CYP2C19 (0.48) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL30516614 | 0.77 | CYP2E1 (0.55) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL370074 | 0.77 | CYP2E1 (0.55) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL369291 | 0.75 | SCD (0.49) | CYP2C9CYP2C19ALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL364613 | 0.75 | CYP2A6 (0.51) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL22195036 | 0.73 | CYP2C9 (0.67) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL370030 | 0.73 | ALDH1A1 (0.55) | CYP2A6CYP2C19ALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL4322525 | 0.73 | RAB9A (0.70) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL23930645 | 0.73 | CYP2A6 (0.54) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL6872027 | 0.73 | CYP2E1 (0.57) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2593447-A2 | NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES | Bayer Intellectual Property GmbH (DE) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007500-A2 | NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2012-01-19 | — | — | WO | disclosed |