Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UGT2B7 | P16662 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
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 | 0.79 | UGT2B7 (0.43) | UGT2B7SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL3971799 | 0.76 | ACHE (0.44) | UGT2B7SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL3976615 | 0.73 | SLC6A2 (0.39) | UGT2B7SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL6678170 | 0.71 | ABCB11 (0.66) | UGT2B7SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL2891187 | 0.71 | SLC6A2 (0.48) | UGT2B7SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL8080369 | 0.70 | AOC3 (0.57) | UGT2B7SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL608453 | 0.69 | TSHR (0.54) | SLC6A2SLC6A4SLC6A3KCNH2CYP3A4 | |
| SCHEMBL8077504 | 0.69 | ACHE (0.47) | UTS2RACHE | |
| SCHEMBL8075773 | 0.69 | OPRK1 (0.46) | UGT2B7SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL8060864 | 0.68 | AOC3 (0.48) | UGT2B7SLC6A2SLC6A4SLC6A3KCNH2 |
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 |