Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21313262 | 0.88 | TLR8 (0.49) | ADORA2AADORA1DHFRTLR8BCHE | |
| SCHEMBL21313145 | 0.88 | DHFR (0.49) | KDM4EADORA2ADHFRTLR8BCHE | |
| SCHEMBL21313261 | 0.87 | MAPK11 (0.44) | KDM4EALDH1A1MAPTHPGDRAB9A | |
| SCHEMBL12495536 | 0.87 | ADORA2A (0.50) | KDM4EALDH1A1HPGDSMN1; SMN2ADORA2A | |
| SCHEMBL12496398 | 0.85 | ADORA2A (0.57) | KDM4ESMN1; SMN2ADORA2AADORA1DHFR | |
| SCHEMBL12496119 | 0.82 | ADORA2A (0.49) | SMN1; SMN2ADORA2AADORA1DHFRTLR8 | |
| SCHEMBL21313153 | 0.81 | CYP11B1 (0.48) | KDM4EALDH1A1MAPTHPGDRAB9A | |
| SCHEMBL21313221 | 0.81 | ADORA2A (0.51) | ADORA2AADORA1DHFRTLR8HRH3 | |
| SCHEMBL21313163 | 0.81 | TGFBR1 (0.49) | KDM4EALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL21313166 | 0.80 | ADORA2A (0.55) | 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 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 |