Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.43 |
| ▸ | GCGR | P47871 | 6/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL21313181 | 0.91 | ADORA2A (0.54) | ADORA2AADORA1HRH2HRH3TLR8 | |
| SCHEMBL12495989 | 0.88 | ADORA2A (0.51) | ADORA2AADORA1GCGRADORA2BHRH2 | |
| SCHEMBL12495875 | 0.87 | ADORA2A (0.58) | ADORA2AADORA1GCGRTLR8HTR1A | |
| SCHEMBL21313222 | 0.86 | ADORA2A (0.47) | ADORA2AADORA1GCGRTLR8HTR1A | |
| SCHEMBL21313164 | 0.85 | HRH3 (0.52) | ADORA2AADORA1HRH2HRH3TLR8 | |
| SCHEMBL12496108 | 0.82 | ADORA2A (0.57) | ADORA2AADORA1GCGRADORA2BTLR8 | |
| SCHEMBL12496006 | 0.82 | ADORA2A (0.48) | ADORA2AADORA1HRH2HRH3TLR8 | |
| SCHEMBL21313217 | 0.81 | MAPK14 (0.49) | ADORA2AADORA1GCGRADORA2B | |
| SCHEMBL21313215 | 0.80 | ADORA2A (0.47) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL12496017 | 0.80 | ADORA2A (0.58) | ADORA2AADORA1GCGRADORA2BADORA3 |
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 |