Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.30 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.30 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.30 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.30 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.30 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19697085 | 0.93 | PSEN1 (0.34) | HCAR2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL19608620 | 0.92 | NR1I2 (0.31) | — | |
| SCHEMBL19405244 | 0.90 | NR1I2 (0.33) | — | |
| SCHEMBL19697066 | 0.86 | NR1I2 (0.32) | HCAR2 | |
| SCHEMBL19236920 | 0.86 | NR1I2 (0.35) | HCAR2 | |
| SCHEMBL19697179 | 0.84 | HCAR2 (0.35) | HCAR2CYP11B1CYP11B2 | |
| SCHEMBL19608780 | 0.83 | HCAR2 (0.32) | HCAR2 | |
| SCHEMBL19879650 | 0.78 | HCAR2 (0.34) | HCAR2ESR1ESR2 | |
| SCHEMBL12205252 | 0.77 | ESR1 (0.34) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL25017543 | 0.77 | HCAR2 (0.31) | HCAR2 |
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 |