Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | INSR | P06213 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3978356 | 0.86 | UGT2B7 (0.43) | UGT2B7CYP2D6AOC3MEN1CYP1A2 | |
| SCHEMBL2891217 | 0.75 | CYP2D6 (0.42) | HTTUGT2B7PIN1CYP2D6AOC3 | |
| SCHEMBL13025120 | 0.72 | AOC3 (0.44) | HTTUGT2B7CYP2D6AOC3MEN1 | |
| SCHEMBL6091855 | 0.72 | AOC3 (0.50) | UGT2B7CYP2D6AOC3MEN1CYP1A2 | |
| SCHEMBL13025100 | 0.71 | BCHE (0.51) | HTTUGT2B7CYP2D6AOC3MEN1 | |
| SCHEMBL20193367 | 0.70 | UGT2B7 (0.58) | UGT2B7HTR2AHTR2CHTR2BCYP2D6 | |
| SCHEMBL3159596 | 0.68 | HTR2A (0.53) | UGT2B7PIN1HTR2AHTR2CHTR2B | |
| SCHEMBL3976615 | 0.68 | SLC6A2 (0.39) | UGT2B7CYP2D6MEN1KMT2ACYP3A4 | |
| SCHEMBL3971600 | 0.67 | SIGMAR1 (0.52) | HTTHTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL3973220 | 0.66 | UGT2B7 (0.43) | UGT2B7CYP2D6AOC3MEN1CYP1A2 |
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-2009051661-A2 | SUBSTITUTED ARYL ALKYLAMINO-OXY-ANALOGS AND USES THEREOF | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2009-04-23 | — | — | WO | disclosed |