Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.34 |
| ▸ | BCHE | P06276 | 4/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.33 |
| ▸ | ACACB | O00763 | 2/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.30 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.30 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL13748613 | 0.90 | AAK1 (0.35) | ACHEBCHEAAK1ACACBABCB1 | |
| SCHEMBL13749054 | 0.88 | AAK1 (0.35) | ACHEBCHEAAK1ACACBABCB1 | |
| SCHEMBL4065540 | 0.88 | BCHE (0.36) | ACHEBCHEAAK1ACACBABCB1 | |
| SCHEMBL4066701 | 0.84 | CYP4F2 (0.35) | ACHEBCHEAAK1ACACBABCB1 | |
| SCHEMBL25132039 | 0.81 | TAAR1 (0.49) | — | |
| SCHEMBL30169770 | 0.81 | TAAR1 (0.49) | — | |
| SCHEMBL24883777 | 0.81 | TAAR1 (0.49) | — | |
| SCHEMBL13748627 | 0.80 | MAPT (0.40) | ACHEBCHE | |
| SCHEMBL13748638 | 0.78 | ALOX15 (0.49) | ACHEBCHEAAK1SLC7A5PTGS2 | |
| SCHEMBL13748422 | 0.77 | SLC7A5 (0.31) | AAK1SLC7A5 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1498415-B1 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | ROCHE DIAGNOSTICS GMBH (DE) | 2007-06-27 | — | — | EP | disclosed |