Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9980489 | 0.82 | NAAA (0.35) | ALDH1A1CYP2C19 | |
| SCHEMBL6025638 | 0.81 | — | — | |
| SCHEMBL23355066 | 0.78 | KDM2A (0.33) | — | |
| SCHEMBL18048859 | 0.78 | MGAM (0.39) | — | |
| SCHEMBL4969192 | 0.75 | LMNA (0.37) | ALDH1A1 | |
| SCHEMBL6767253 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL4441021 | 0.74 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL23111822 | 0.74 | TSHR (0.39) | ALDH1A1 | |
| SCHEMBL669686 | 0.74 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL868200 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008103319-A2 | COMPOUNDS AND METHODS FOR USE IN DETECTING GABAPENTIN | ARK DIAGNOSTICS, INC. (US) | 2008-08-28 | — | — | WO | disclosed |
| EP-1756570-A4 | IMMUNOASSAYS FOR BUPRENORPHINE AND NORBUPRENORPHINE | DADE BEHRING INC (US) | 2008-05-21 | — | — | EP | disclosed |
| EP-1756570-A2 | IMMUNOASSAYS FOR BUPRENORPHINE AND NORBUPRENORPHINE | DADE BEHRING INC. (US) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005103697-A2 | IMMUNOASSAYS FOR BUPRENORPHINE AND NORBUPRENORPHINE | DADE BEHRING INC. (US) | 2005-11-03 | — | — | WO | disclosed |