Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19727223 | 0.92 | HTT (0.40) | HTTRECQLCCR1CCR8NOS2 | |
| SCHEMBL21509898 | 0.89 | HTT (0.40) | HTTRECQLCCR1CCR8NOS2 | |
| SCHEMBL18948440 | 0.85 | KCNH2 (0.42) | HTTRECQLCCR1CCR8NOS2 | |
| SCHEMBL23347040 | 0.85 | KCNH2 (0.42) | HTTRECQLCCR1CCR8NOS2 | |
| SCHEMBL23347114 | 0.85 | KCNH2 (0.42) | HTTRECQLCCR1CCR8NOS2 | |
| SCHEMBL12299266 | 0.83 | CCR1 (0.44) | HTTRECQLCCR1CCR8NOS2 | |
| SCHEMBL18672330 | 0.82 | HTT (0.41) | HTTRECQLCCR1CCR8NOS2 | |
| SCHEMBL24453697 | 0.82 | HTT (0.38) | HTTRECQLCCR1CCR8NOS2 | |
| SCHEMBL26304397 | 0.78 | HRH1 (0.35) | — | |
| SCHEMBL21078223 | 0.76 | NCF1 (0.35) | RAB9ANPC1 |
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 |