Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | LSS | P48449 | 1/20 | 0.35 |
| ▸ | QPCT | Q16769 | 1/20 | 0.33 |
| ▸ | RORA | P35398 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | RORB | Q92753 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.30 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.30 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.30 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.30 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.30 |
| ▸ | PSENEN | Q9NZ42 | 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 | |
|---|---|---|---|---|
| SCHEMBL18713682 | 0.87 | ADORA2A (0.50) | ADORA2AADORA2BLSSQPCTMCHR1 | |
| SCHEMBL21239907 | 0.78 | ADORA2A (0.46) | ADORA2AADORA2BLSSQPCTRORA | |
| SCHEMBL21240892 | 0.78 | ADORA2A (0.46) | ADORA2AADORA2BLSSQPCTRORA | |
| SCHEMBL20032325 | 0.76 | ADORA2A (0.50) | ADORA2AADORA2BLSSQPCTGRM4 | |
| SCHEMBL24759259 | 0.71 | ADORA2A (0.52) | ADORA2AADORA2BLSSQPCTMCHR1 | |
| SCHEMBL24759258 | 0.71 | ADORA2A (0.52) | ADORA2AADORA2BLSSQPCTMCHR1 | |
| SCHEMBL5524462 | 0.70 | NR1I2 (0.47) | NR1I2TBXAS1PDE3BPDE3A | |
| SCHEMBL18713963 | 0.69 | ADORA2A (0.45) | ADORA2AADORA2BLSSQPCTGRM4 | |
| SCHEMBL18660101 | 0.68 | NR1I2 (0.58) | NR1I2 | |
| SCHEMBL18682179 | 0.68 | RORA (0.37) | NR1I2RORARORCRORB |
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 |