Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 7/20 | 0.44 |
| ▸ | CCNC | P24863 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL529341 | 0.91 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL528765 | 0.84 | RXFP1 (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL27916309 | 0.83 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL529732 | 0.82 | HTT (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL529372 | 0.81 | RXFP1 (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL529709 | 0.78 | HTT (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL25498102 | 0.78 | PDE5A (0.43) | CCNCCDK8MEN1KMT2A | |
| SCHEMBL28072239 | 0.78 | MALT1 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL28806276 | 0.78 | CYP1A2 (0.40) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL27898582 | 0.78 | CSNK2A1 (0.49) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 |
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-2597955-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | OncoTherapy Science, Inc. (JP) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012016082-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2012-02-02 | — | — | WO | disclosed |