Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 8/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.60 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.60 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.60 |
| ▸ | MLNR | O43193 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7852459 | 0.84 | PNMT (0.60) | PNMTADRA2AADRA2BADRA2CMLNR | |
| SCHEMBL7855779 | 0.80 | MLNR (0.63) | PNMTADRA2AADRA2BADRA2CMLNR | |
| SCHEMBL3243350 | 0.78 | PNMT (0.55) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL29941551 | 0.76 | PNMT (1.00) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL1487047 | 0.76 | PNMT (1.00) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL15331291 | 0.76 | PNMT (0.51) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL31481009 | 0.75 | PNMT (0.49) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL13739704 | 0.75 | PNMT (0.49) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL13650345 | 0.75 | PNMT (0.55) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL3240122 | 0.75 | PNMT (0.55) | PNMTADRA2AADRA2BADRA2C |
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-2014160177-A2 | QUINAZOLINE INHIBITORS OF PI3K | EXELIXIS, INC. (US) | 2014-10-02 | — | — | WO | disclosed |