Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 11/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7507898 | 0.91 | MEN1 (0.37) | CHRM3CHRM2CHRM1CYP2D6CHRM4 | |
| SCHEMBL7445905 | 0.76 | CHRM3 (0.35) | CHRM3CYP2B6CHRM2CHRM1CYP2D6 | |
| SCHEMBL2125965 | 0.72 | CHRM3 (0.48) | CHRM3CHRM2CHRM1CYP2D6KCNH2 | |
| SCHEMBL2126331 | 0.72 | CHRM3 (0.48) | CHRM3CHRM2CHRM1CYP2D6KCNH2 | |
| SCHEMBL2126336 | 0.72 | CHRM3 (0.48) | CHRM3CHRM2CHRM1CYP2D6KCNH2 | |
| SCHEMBL2125962 | 0.72 | CHRM3 (0.48) | CHRM3CHRM2CHRM1CYP2D6KCNH2 | |
| SCHEMBL2127685 | 0.72 | CYP2B6 (0.50) | CHRM3CYP2B6CHRM2CHRM1CYP2D6 | |
| SCHEMBL2128439 | 0.72 | CYP2B6 (0.50) | CHRM3CYP2B6CHRM2CHRM1CYP2D6 | |
| SCHEMBL327106 | 0.71 | CYP2B6 (0.45) | CHRM3CYP2B6CHRM2CHRM1CYP2D6 | |
| SCHEMBL7126061 | 0.70 | CYP2B6 (0.45) | CHRM3CYP2B6CHRM2CHRM1CYP2D6 |
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-1131306-A2 | ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000029406-A2 | NOVEL ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-05-25 | — | — | WO | disclosed |