Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 8/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 7/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.32 |
| ▸ | CMKLR1 | Q99788 | 2/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.31 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.31 |
| ▸ | MERTK | Q12866 | 1/20 | 0.31 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7444163 | 0.91 | AGTR1 (0.32) | AGTR1AGTR2 | |
| SCHEMBL7437420 | 0.91 | AGTR1 (0.33) | AGTR1AGTR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7437195 | 0.90 | GSK3B (0.37) | AGTR1AGTR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7445264 | 0.88 | AGTR1 (0.33) | AGTR1AGTR2CRHR1 | |
| SCHEMBL7442737 | 0.88 | CSNK2A1 (0.40) | AGTR1AGTR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7448995 | 0.86 | AGTR1 (0.36) | AGTR1AGTR2 | |
| SCHEMBL7448748 | 0.86 | AGTR1 (0.35) | AGTR1AGTR2 | |
| SCHEMBL7444077 | 0.84 | AGTR1 (0.34) | AGTR1AGTR2CXCR4CMKLR1 | |
| SCHEMBL7438197 | 0.83 | PRKAB2 (0.36) | AGTR1AGTR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7446039 | 0.83 | BRD4 (0.35) | AGTR1AGTR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0628559-B1 | Pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF LILLY GMBH (DE) | 2002-04-03 | — | — | EP | disclosed |
| US-5602136-A | Pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF-LILLY GMBH (DE) | 1997-02-11 | — | — | US | disclosed |
| US-5602137-A | Pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF-LILLY GMBH (DE) | 1997-02-11 | — | — | US | disclosed |
| US-5571813-A | Fused pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF-LILLY GMBH (DE) | 1996-11-05 | — | — | US | disclosed |
| EP-0628559-A1 | Pyrimidine compounds and their use as pharmaceuticals | Beiersdorf-Lilly GmbH (DE) | 1994-12-14 | — | — | EP | disclosed |