Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.39 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CASP6 | P55212 | 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 | |
|---|---|---|---|---|
| SCHEMBL3433618 | 0.90 | IDO1 (0.39) | IDO1NOS3NOS1NOS2BACE1 | |
| SCHEMBL3430394 | 0.83 | ADRA1A (0.42) | IDO1PLAUKDM4ELMNAPOLB | |
| SCHEMBL4109733 | 0.83 | ADRA1A (0.42) | IDO1PLAUKDM4ELMNAPOLB | |
| SCHEMBL27822668 | 0.78 | PLAU (0.31) | PLAUDRD2KDM4ELMNAPOLB | |
| SCHEMBL28789862 | 0.74 | KDM4E (0.36) | BACE1HTR2APLAUDRD2KDM4E | |
| SCHEMBL3431340 | 0.73 | DRD2 (0.38) | DRD2 | |
| SCHEMBL3431332 | 0.72 | BACE1 (0.38) | IDO1BACE1HTR2AHTR2CPLAU | |
| SCHEMBL2243951 | 0.69 | IDO1 (0.40) | IDO1NOS3NOS1NOS2APP | |
| SCHEMBL4104963 | 0.66 | ADRA1A (0.34) | IDO1HTR2AHTR2CDRD2KDM4E | |
| SCHEMBL3431174 | 0.65 | ADRA1A (0.40) | PLAUJAK2JAK3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101959876-A | 2-aminoquinolines | HOFFMANN LA ROCHE | 2011-01-26 | — | — | CN | disclosed |
| EP-2262789-A1 | 2-AMINOQUINOLINES | F. Hoffmann-La Roche AG (CH) | 2010-12-22 | — | — | EP | disclosed |
| WO-2009109477-A1 | 2-AMINOQUINOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-11 | — | — | WO | disclosed |