Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.42 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CSNK1E | P49674 | 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 | |
|---|---|---|---|---|
| SCHEMBL22931251 | 0.95 | CYSLTR2 (0.40) | CYSLTR2CYSLTR1NISCHADRB2ADRB1 | |
| SCHEMBL22162241 | 0.91 | NISCH (0.44) | NISCHADRB2ADRB1AOC3KDM4E | |
| SCHEMBL11851706 | 0.86 | CYSLTR2 (0.40) | CYSLTR2CYSLTR1NISCHADRB2ADRB1 | |
| SCHEMBL11854685 | 0.85 | CYSLTR2 (0.43) | CYSLTR2CYSLTR1NISCHADRB2ADRB1 | |
| SCHEMBL11861289 | 0.85 | CYSLTR2 (0.43) | CYSLTR2CYSLTR1NISCHADRB2ADRB1 | |
| SCHEMBL11851265 | 0.85 | CYSLTR2 (0.43) | CYSLTR2CYSLTR1NISCHADRB2ADRB1 | |
| SCHEMBL25487654 | 0.84 | NISCH (0.40) | CYSLTR2CYSLTR1NISCHADRB2ADRB1 | |
| SCHEMBL19003445 | 0.83 | NISCH (0.42) | NISCHADRB2ADRB1AOC3KDM4E | |
| SCHEMBL9155160 | 0.83 | CYSLTR2 (0.38) | CYSLTR2CYSLTR1NISCHADRB2ADRB1 | |
| SCHEMBL8821811 | 0.82 | CYSLTR2 (0.41) | CYSLTR2CYSLTR1MEN1KMT2A |
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 |