Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.58 |
| ▸ | TLR8 | Q9NR97 | 6/20 | 0.50 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16223017 | 0.93 | ADORA2A (0.47) | ADORA2AADORA1TLR8ALDH1A1MAPT | |
| SCHEMBL21313192 | 0.89 | ADORA2A (0.45) | ADORA2AADORA1TLR8ALDH1A1MAPT | |
| SCHEMBL12495851 | 0.87 | TLR8 (0.60) | ADORA2AADORA1TLR8DHFRNUDT1 | |
| SCHEMBL16223083 | 0.87 | ADORA2A (0.43) | ADORA2AADORA1TLR8ALDH1A1DRD2 | |
| SCHEMBL16223070 | 0.86 | CYP3A4 (0.50) | ADORA2AADORA1TLR8CYP2E1CYP2A6 | |
| SCHEMBL21313155 | 0.85 | CHRNA7 (0.43) | ADORA2AADORA1TLR8MAPTDRD2 | |
| SCHEMBL16223036 | 0.85 | HRH2 (0.52) | ADORA2AADORA1TLR8ALDH1A1MAPT | |
| SCHEMBL12495826 | 0.85 | ADK (0.44) | ADORA2AADORA1TLR8DHFRALDH1A1 | |
| SCHEMBL16223072 | 0.84 | ADORA2A (0.42) | ADORA2AADORA1TLR8DHFRNUDT1 | |
| SCHEMBL12495746 | 0.84 | ADORA2A (0.42) | ADORA2AADORA1TLR8ALDH1A1MAPT |
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 |