Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.37 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL24919837 | 0.91 | GGPS1 (0.35) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL24261194 | 0.87 | GGPS1 (0.36) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL24919865 | 0.85 | CYP3A4 (0.41) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17827955 | 0.84 | CYP3A4 (0.39) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17820663 | 0.83 | CYP3A4 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17827956 | 0.76 | CYP3A4 (0.40) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19879650 | 0.76 | HCAR2 (0.34) | — | |
| SCHEMBL16937839 | 0.75 | CYP3A4 (0.45) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL84380 | 0.75 | CYP3A4 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19003688 | 0.74 | HCAR2 (0.33) | CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |