Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 3/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 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 | |
|---|---|---|---|---|
| SCHEMBL19003574 | 0.83 | AKR1C3 (0.36) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL13045900 | 0.82 | PPARG (0.49) | PDE4APDE4BPDE4CPDE4DPPARG | |
| SCHEMBL20921361 | 0.80 | TAS1R3 (0.48) | PDE4APDE4BPDE4CPDE4DPPARG | |
| SCHEMBL20414528 | 0.80 | AR (0.37) | CTSSCTSKAKR1C3AKR1C2AKR1B10 | |
| SCHEMBL21125230 | 0.79 | AKR1C3 (0.43) | CTSSCTSKAKR1C3AKR1C2AKR1B10 | |
| SCHEMBL20372911 | 0.78 | TAS1R3 (0.40) | PDE4APDE4BPDE4CPDE4DPPARG | |
| SCHEMBL22932925 | 0.77 | PPARG (0.50) | PDE4APDE4BPDE4CPDE4DPPARG | |
| SCHEMBL20289179 | 0.77 | TAS1R3 (0.47) | PDE4APDE4BPDE4CPDE4DPPARG | |
| SCHEMBL23666705 | 0.76 | ESR1 (0.36) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL2662354 | 0.76 | AKR1C3 (0.46) | AKR1C3AKR1C2AKR1C4AKR1C1HTR2A |
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 |