Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 2/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HEXA | P06865 | 1/20 | 0.40 |
| ▸ | HEXB | P07686 | 1/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12495753 | 0.88 | HRH3 (0.63) | HRH2HRH3ADORA2AADORA1KMT2A | |
| SCHEMBL16223017 | 0.88 | ADORA2A (0.47) | HRH2HRH3ADORA2AADORA1NPC1 | |
| SCHEMBL16223083 | 0.85 | ADORA2A (0.43) | HRH2HRH3ADORA2AADORA1GAA | |
| SCHEMBL21313192 | 0.85 | ADORA2A (0.45) | ADORA2AADORA1NPC1RAB9AGSK3B | |
| SCHEMBL12496112 | 0.85 | HRH2 (0.56) | HRH2HRH3ADORA2AADORA1NPC1 | |
| SCHEMBL16223135 | 0.85 | ADORA2A (0.58) | ADORA2AADORA1TLR8ALDH1A1MAPT | |
| SCHEMBL12496097 | 0.83 | ADORA2A (0.62) | HRH2HRH3ADORA2AADORA1KMT2A | |
| SCHEMBL12495759 | 0.82 | HRH2 (0.56) | HRH2HRH3ADORA2AADORA1NPC1 | |
| SCHEMBL12495574 | 0.81 | HRH2 (0.50) | HRH2HRH3ADORA2AADORA1NPC1 | |
| SCHEMBL12496373 | 0.80 | HRH2 (0.56) | HRH2HRH3ADORA2AADORA1KMT2A |
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 |