Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 9/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.57 |
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18727129 | 0.84 | CYP2D6 (0.54) | CYP2D6CYP2C19CYP3A4TSHRKDM4E | |
| SCHEMBL11817626 | 0.78 | CYP2D6 (0.58) | CYP2D6CYP2C19CYP3A4TSHRKDM4E | |
| SCHEMBL11817558 | 0.76 | CYP2D6 (0.60) | CYP2D6CYP2C19CYP3A4TSHRKDM4E | |
| SCHEMBL11825956 | 0.76 | CYP2D6 (0.60) | CYP2D6CYP2C19CYP3A4TSHRKDM4E | |
| SCHEMBL29356135 | 0.74 | CYP2D6 (1.00) | CYP2D6CYP2C19CYP3A4TSHRKDM4E | |
| SCHEMBL178013 | 0.74 | CYP2D6 (1.00) | CYP2D6CYP2C19CYP3A4TSHRKDM4E | |
| Hydrochloric Acid SCHEMBL4456077 | 0.73 | CYP2D6 (0.98) | CYP2D6CYP2C19CYP3A4TSHRKDM4E | |
| Hydrochloric Acid SCHEMBL29389905 | 0.73 | CYP2D6 (0.98) | CYP2D6CYP2C19CYP3A4TSHRKDM4E | |
| Perchlorate SCHEMBL11825619 | 0.73 | CYP2D6 (0.53) | CYP2D6CYP2C19CYP3A4TSHRKDM4E | |
| SCHEMBL11825625 | 0.73 | CYP2D6 (0.53) | CYP2D6CYP2C19CYP3A4TSHRKDM4E |
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-1592684-B1 | MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-07-30 | — | — | EP | disclosed |
| US-7375099-B2 | secretase inhibitors; therapy for Alzheimer's disease | HOFFMANN-LA ROCHE INC. (US) | 2008-05-20 | — | — | US | disclosed |
| US-7375099-B2 | secretase inhibitors; therapy for Alzheimer's disease | HOFFMANN-LA ROCHE INC. (US) | 2008-05-20 | — | — | US | disclosed |
| WO-2004069826-A1 | MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-19 | — | — | WO | disclosed |