Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL4066701 | 0.89 | CYP4F2 (0.35) | CYP4F2CYP4A11NFKB1NFKB2RELA | |
| SCHEMBL13748429 | 0.89 | SIRT2 (0.32) | ADORA1 | |
| SCHEMBL13748424 | 0.85 | AAK1 (0.32) | ADORA1 | |
| SCHEMBL4068936 | 0.82 | CYP4F2 (0.34) | CYP4F2CYP4A11NFKB1NFKB2RELA | |
| SCHEMBL14491744 | 0.79 | SYK (0.41) | CYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL4063474 | 0.78 | ACACB (0.36) | CYP4F2CYP4A11 | |
| SCHEMBL13748614 | 0.77 | SYK (0.43) | — | |
| SCHEMBL4066706 | 0.76 | KMT2A (0.35) | CYP4F2CYP4A11ADORA2AADORA1ALDH1A1 | |
| SCHEMBL13749054 | 0.76 | AAK1 (0.35) | — | |
| SCHEMBL4065540 | 0.76 | BCHE (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7569676-B2 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | ROCHE DIAGNOSTICS OPERATIONS, INC. (US) | 2009-08-04 | — | — | US | disclosed |