Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 2/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21313145 | 0.88 | DHFR (0.49) | ADORA2ADHFRTLR8HRH3BCHE | |
| SCHEMBL21313262 | 0.86 | TLR8 (0.49) | ADORA2AADORA1DHFRTLR8HRH3 | |
| SCHEMBL16223017 | 0.85 | ADORA2A (0.47) | ADORA2AADORA1TLR8HRH3ADK | |
| SCHEMBL21313261 | 0.85 | MAPK11 (0.44) | ADORA2AADORA1DHFRTLR8HRH3 | |
| SCHEMBL16223135 | 0.84 | ADORA2A (0.58) | ADORA2AADORA1DHFRTLR8DRD2 | |
| SCHEMBL21313203 | 0.82 | ADORA2A (0.48) | ADORA2AADORA1DHFRTLR8HRH3 | |
| SCHEMBL21313170 | 0.81 | ADORA2A (0.46) | ADORA2AADORA1DHFRHRH3NQO2 | |
| SCHEMBL21313221 | 0.81 | ADORA2A (0.51) | ADORA2AADORA1DHFRTLR8HRH3 | |
| SCHEMBL21313166 | 0.80 | ADORA2A (0.55) | ADORA2AADORA1DHFRTLR8HRH3 | |
| SCHEMBL12495576 | 0.80 | ADORA2A (0.53) | ADORA2AADORA1DHFRTLR8HRH3 |
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 |