Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ADK | P55263 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12495868 | 0.88 | ADK (0.46) | CYP3A4CYP2C9KDM4EADKADORA2A | |
| SCHEMBL12495536 | 0.88 | ADORA2A (0.50) | CYP3A4CYP2C9CYP2A6KDM4EADORA2A | |
| SCHEMBL12495825 | 0.88 | ADK (0.51) | CYP3A4CYP2C9KDM4EHSD17B10ADK | |
| SCHEMBL12495847 | 0.87 | ADORA2A (0.55) | CYP3A4CYP2C9KDM4EADKADORA2A | |
| SCHEMBL12496119 | 0.85 | ADORA2A (0.49) | CYP3A4CYP2C9CYP2A6ADORA2AADORA1 | |
| SCHEMBL12496398 | 0.84 | ADORA2A (0.57) | CYP3A4CYP2C9CYP2A6KDM4EADORA2A | |
| SCHEMBL16223070 | 0.82 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL12495826 | 0.81 | ADK (0.44) | CYP3A4CYP2C9KDM4EADKADORA2A | |
| SCHEMBL12496530 | 0.81 | KDM4E (0.47) | CYP3A4CYP2C9KDM4EADKADORA2A | |
| SCHEMBL16223126 | 0.80 | ADORA2A (0.40) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 |
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 4 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 |
| EP-2680847-A1 | 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) | 2014-01-08 | — | — | EP | disclosed |
| WO-2012116666-A1 | 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) | 2012-09-07 | — | — | WO | disclosed |