Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 12/20 | 0.43 |
| ▸ | AGTR2 | P50052 | 10/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.33 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.33 |
| ▸ | PRKAA1 | Q13131 | 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 | |
|---|---|---|---|---|
| SCHEMBL7436596 | 0.90 | AGTR1 (0.42) | AGTR1AGTR2PDE4APDE4BPDE4C | |
| SCHEMBL7434002 | 0.89 | AGTR1 (0.41) | AGTR1AGTR2PDE4APDE4BPDE4C | |
| SCHEMBL7440016 | 0.89 | AGTR1 (0.41) | AGTR1AGTR2PDE4APDE4BPDE4C | |
| SCHEMBL7436217 | 0.86 | AGTR1 (0.40) | AGTR1AGTR2PDE4APDE4BPDE4C | |
| SCHEMBL7440984 | 0.86 | AGTR1 (0.51) | AGTR1AGTR2PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL7431048 | 0.86 | AGTR1 (0.41) | AGTR1AGTR2 | |
| SCHEMBL7437769 | 0.85 | AGTR1 (0.42) | AGTR1AGTR2PDE4APDE4BPDE4C | |
| SCHEMBL7444400 | 0.85 | AGTR1 (0.41) | AGTR1AGTR2MAPK1HSD17B10PRKAB2 | |
| SCHEMBL7448470 | 0.85 | AGTR1 (0.39) | AGTR1AGTR2PDE4APDE4BPDE4C | |
| SCHEMBL7438363 | 0.83 | KCNN3 (0.45) | AGTR1 |
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-5602137-A | Pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF-LILLY GMBH (DE) | 1997-02-11 | — | — | US | disclosed |
| US-5602136-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 |