Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 3/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL18596818 | 1.00 | APLNR (0.38) | APLNRNR1I2PSMD14HSP90AA1MMP2 | |
| SCHEMBL23871060 | 1.00 | APLNR (0.38) | APLNRNR1I2PSMD14HSP90AA1MMP2 | |
| SCHEMBL18672471 | 0.98 | APLNR (0.37) | APLNRNR1I2PSMD14HSP90AA1MMP2 | |
| SCHEMBL25898707 | 0.98 | APLNR (0.37) | APLNRNR1I2PSMD14HSP90AA1MMP2 | |
| SCHEMBL22166120 | 0.97 | APLNR (0.36) | APLNRNR1I2PSMD14HSP90AA1MMP2 | |
| SCHEMBL19853068 | 0.93 | APLNR (0.40) | APLNRESR1ESR2HRH1KCNH2 | |
| SCHEMBL20376381 | 0.90 | APLNR (0.38) | APLNRESR1ESR2HRH1KCNH2 | |
| SCHEMBL21755153 | 0.87 | ESR1 (0.40) | APLNRNR1I2ESR1ESR2HRH1 | |
| SCHEMBL19003492 | 0.86 | APLNR (0.41) | APLNRESR1ESR2HRH1KCNH2 | |
| SCHEMBL18879333 | 0.85 | APLNR (0.40) | APLNRPSMD14HSP90AA1MMP2MC4R |
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 |
|---|---|---|---|---|---|---|---|
| US-9676780-B2 | Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-06-13 | — | — | US | disclosed |