Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | STAT6 | P42226 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6431539 | 0.82 | ALDH1A1 (0.44) | CYP1A2ALDH1A1SLC6A3CYP3A4LMNA | |
| SCHEMBL6431542 | 0.82 | ALDH1A1 (0.44) | CYP1A2ALDH1A1SLC6A3CYP3A4LMNA | |
| SCHEMBL30637669 | 0.81 | S1PR1 (0.43) | ALDH1A1KDM4ECES2CES1HTT | |
| SCHEMBL2134676 | 0.80 | ALDH1A1 (0.47) | CYP1A2ALDH1A1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL639563 | 0.80 | ALDH1A1 (0.64) | CYP1A2ALDH1A1SLC6A3CYP3A4LMNA | |
| SCHEMBL7759530 | 0.80 | ALDH1A1 (0.64) | CYP1A2ALDH1A1SLC6A3CYP3A4LMNA | |
| Hydrochloric Acid SCHEMBL27529639 | 0.79 | ALDH1A1 (0.62) | CYP1A2ALDH1A1SLC6A3CYP3A4LMNA | |
| Hydrochloric Acid SCHEMBL4200885 | 0.79 | ALDH1A1 (0.62) | CYP1A2ALDH1A1SLC6A3CYP3A4LMNA | |
| SCHEMBL29942045 | 0.78 | HDAC4 (0.46) | CYP1A2ALDH1A1CYP3A4CES2CES1 | |
| SCHEMBL19555119 | 0.77 | ALDH1A1 (0.50) | CYP1A2ALDH1A1SLC6A3CYP3A4LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1224163-B1 | USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS | HOFFMANN LA ROCHE (CH) | 2005-03-30 | — | — | EP | disclosed |
| US-6548522-B1 | N-substituted 2,2-diphenylacetamide or N-substituted 2-phenyl-2-pyridinylacetamide | HOFFMANN-LA ROCHE INC. | 2003-04-15 | — | — | US | disclosed |
| EP-1224163-A1 | USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001027070-A1 | USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-19 | — | — | WO | disclosed |