Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4434628 | 0.88 | AKR1C3 (0.51) | AKR1C3AKR1C2CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL4441805 | 0.84 | P2RX7 (0.42) | CYP1A2CYP2C19CYP3A4CYP2C9MEN1 | |
| SCHEMBL4435426 | 0.82 | CNR1 (0.40) | AKR1C3AKR1C2LMNACNR1 | |
| SCHEMBL4436028 | 0.82 | AKR1C3 (0.49) | AKR1C3AKR1C2CYP1A2CYP2C19CYP1A1 | |
| SCHEMBL4432351 | 0.82 | AKR1C3 (0.49) | AKR1C3AKR1C2CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL4441390 | 0.80 | CNR1 (0.43) | AKR1C3AKR1C2CYP3A4MEN1KMT2A | |
| SCHEMBL4441843 | 0.80 | CNR1 (0.43) | AKR1C3AKR1C2CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL4431032 | 0.77 | PDE4A (0.45) | AKR1C3AKR1C2CYP2C9MAPTMEN1 | |
| SCHEMBL4432350 | 0.77 | AKR1C3 (0.45) | AKR1C3AKR1C2NPSR1 | |
| SCHEMBL4432979 | 0.76 | AKR1C3 (0.51) | AKR1C3AKR1C2MAPTKDM4ENPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2114867-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008107335-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | disclosed |