Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.45 |
| ▸ | ADK | P55263 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12495825 | 0.88 | ADK (0.51) | ADORA2AADKALDH1A1MEN1KMT2A | |
| SCHEMBL21313181 | 0.86 | ADORA2A (0.54) | ADORA2AADORA1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12495847 | 0.84 | ADORA2A (0.55) | ADORA2AADKALDH1A1MEN1KMT2A | |
| SCHEMBL12495868 | 0.83 | ADK (0.46) | ADORA2AADKALDH1A1MEN1KMT2A | |
| SCHEMBL12495875 | 0.83 | ADORA2A (0.58) | ADORA2AADORA1DHFRHTR1ADRD2 | |
| SCHEMBL21313222 | 0.82 | ADORA2A (0.47) | ADORA2AALDH1A1MAPTADORA1NPC1 | |
| SCHEMBL12496000 | 0.81 | ADORA2A (0.46) | ADORA2AADKALDH1A1MEN1KMT2A | |
| SCHEMBL12495826 | 0.81 | ADK (0.44) | ADORA2AADKALDH1A1MEN1KMT2A | |
| SCHEMBL12496530 | 0.81 | KDM4E (0.47) | ADORA2AADKALDH1A1MEN1KMT2A | |
| SCHEMBL12495903 | 0.81 | ADORA2A (0.44) | ADORA2AADKALDH1A1HPGDADORA1 |
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 |