Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 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 | |
|---|---|---|---|---|
| SCHEMBL21313148 | 0.89 | TLR8 (0.46) | ADORA2AAPPTLR8FYNPIK3CD | |
| SCHEMBL21313198 | 0.89 | APP (0.43) | ADORA2AADORA1APPTLR8CYP2A6 | |
| SCHEMBL16223004 | 0.88 | APP (0.40) | ADORA2AADORA1APPTLR8FYN | |
| SCHEMBL12495536 | 0.84 | ADORA2A (0.50) | ADORA2AADORA1TLR8PPARAHRH3 | |
| SCHEMBL12496398 | 0.83 | ADORA2A (0.57) | ADORA2AADORA1TLR8PPARAHRH3 | |
| SCHEMBL21313246 | 0.83 | CYP11B1 (0.45) | ADORA2AADORA1APPNQO2ADORA2B | |
| SCHEMBL21313188 | 0.83 | ADORA2A (0.42) | ADORA2AADORA1APPTLR8ADORA2B | |
| SCHEMBL16223141 | 0.82 | PIK3CD (0.38) | ADORA2AADORA1APPFYNNPC1 | |
| SCHEMBL21313266 | 0.82 | ADORA2A (0.40) | ADORA2AADORA1APPTLR8FYN | |
| SCHEMBL16223129 | 0.81 | ADK (0.44) | ADORA2AADORA1APPADORA2BCYP3A4 |
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 2 patents. 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 |
| US-8883798-B2 | 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) | 2014-11-11 | — | — | US | claimed |