Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22096777 | 0.93 | NR1I2 (0.37) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL7834476 | 0.89 | OPRM1 (0.34) | OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL8735807 | 0.87 | NOS2 (0.35) | NOS2 | |
| SCHEMBL12205252 | 0.81 | ESR1 (0.34) | — | |
| SCHEMBL22169019 | 0.79 | ACHE (0.34) | — | |
| SCHEMBL7837926 | 0.77 | PSEN1 (0.37) | — | |
| SCHEMBL22168972 | 0.77 | NR3C1 (0.31) | — | |
| SCHEMBL18884180 | 0.77 | CES2 (0.32) | — | |
| SCHEMBL21732183 | 0.76 | OPRM1 (0.42) | OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL22795615 | 0.76 | GPR84 (0.33) | HDAC3HDAC1HDAC2HDAC8HDAC6 |
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 |