Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21313228 | 0.91 | TLR8 (0.46) | ADORA2ATLR8GRM4MAPTNPC1 | |
| SCHEMBL12496138 | 0.91 | GRM4 (0.45) | TLR8GRM4MAPTNPC1RAB9A | |
| SCHEMBL21313154 | 0.88 | ADORA2A (0.46) | ADORA2ATLR8ADORA1GRM4MAPT | |
| SCHEMBL21313184 | 0.87 | HRH2 (0.49) | ADORA2AADORA1MAPTKDM4EALDH1A1 | |
| SCHEMBL21313180 | 0.83 | ADORA2A (0.45) | ADORA2ATLR8ADORA1GRM4MAPT | |
| SCHEMBL21313196 | 0.83 | ADORA2A (0.44) | ADORA2AADORA1GRM4ADORA2BMAPT | |
| SCHEMBL12495884 | 0.83 | HDAC3 (0.41) | TLR8GRM4MAPTNPC1RAB9A | |
| SCHEMBL21313269 | 0.83 | ADORA2A (0.40) | ADORA2ATLR8ADORA1GRM4MAPT | |
| SCHEMBL16223029 | 0.83 | MAOB (0.41) | ADORA2ATLR8ADORA1GRM4MAPT | |
| SCHEMBL21313156 | 0.82 | ADORA2A (0.44) | ADORA2ACNR2ADORA1GRM4SCN9A |
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-3195867-B1 | PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF | USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR V V I (CZ) | 2019-09-04 | — | — | EP | claimed |