Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MALT1 | Q9UDY8 | 2/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL27916351 | 0.83 | MAPK1 (0.48) | HTTTSHRMALT1RXFP1CYP1A2 | |
| SCHEMBL27916309 | 0.79 | CYP1A2 (0.44) | HTTTSHRMALT1RXFP1CYP1A2 | |
| SCHEMBL529214 | 0.78 | HTT (0.63) | HTTTSHRMALT1RXFP1CYP1A2 | |
| SCHEMBL529322 | 0.78 | CYP1A2 (0.48) | HTTTSHRMALT1RXFP1CYP1A2 | |
| SCHEMBL529686 | 0.77 | CYP1A2 (0.40) | HTTTSHRMALT1RXFP1CYP1A2 | |
| SCHEMBL28806276 | 0.77 | CYP1A2 (0.40) | HTTTSHRMALT1RXFP1CYP1A2 | |
| SCHEMBL529372 | 0.77 | RXFP1 (0.43) | HTTTSHRMALT1RXFP1CYP1A2 | |
| SCHEMBL529341 | 0.76 | CYP1A2 (0.46) | HTTTSHRMALT1RXFP1CYP1A2 | |
| SCHEMBL10282056 | 0.75 | HTT (0.49) | HTTTSHRMALT1RXFP1CYP1A2 | |
| SCHEMBL528765 | 0.75 | RXFP1 (0.42) | HTTTSHRMALT1RXFP1CYP1A2 |
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 |