Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NPY1R | P25929 | 1/20 | 0.31 |
| ▸ | NPY2R | P49146 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.31 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8003234 | 1.00 | PARP1 (0.46) | PARP1CYP1A2CYP2D6RAD52ALDH1A1 | |
| SCHEMBL8003716 | 0.84 | METAP2 (0.45) | PARP1CYP1A2CYP2D6RAD52ALDH1A1 | |
| SCHEMBL7997535 | 0.77 | CYP1A2 (0.41) | CYP1A2CYP2D6RAD52ALDH1A1MEN1 | |
| SCHEMBL7997533 | 0.77 | CYP1A2 (0.41) | CYP1A2CYP2D6RAD52ALDH1A1MEN1 | |
| SCHEMBL7996483 | 0.77 | CYP2D6 (0.43) | CYP1A2CYP2D6RAD52ALDH1A1MEN1 | |
| SCHEMBL7997942 | 0.75 | PARP1 (0.49) | PARP1CYP1A2ALDH1A1PDE4DPDE10A | |
| SCHEMBL7121500 | 0.72 | PDE10A (0.43) | CYP1A2CYP2D6RAD52ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL7118613 | 0.71 | PDE10A (0.42) | CYP1A2CYP2D6RAD52ALDH1A1MEN1 | |
| SCHEMBL8007841 | 0.69 | PARP1 (0.46) | PARP1CCR1PDE4DPDE10A | |
| SCHEMBL1101005 | 0.69 | PARP1 (0.58) | PARP1CYP1A2ALDH1A1MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000015617-A1 | 2-AMINOETHYL-QUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE | SANOFI-SYNTHELABO (FR) | 2000-03-23 | — | — | WO | disclosed |