Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 4/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GALR3 | O60755 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27771400 | 0.90 | KDM4E (0.41) | CYP19A1XDHPDE3BPDE3AKDM4E | |
| SCHEMBL8671011 | 0.89 | ACHE (0.45) | HIF1AACHE | |
| SCHEMBL28781819 | 0.89 | CYP19A1 (0.39) | CYP19A1XDHPDE3BPDE3AKDM4E | |
| SCHEMBL27845844 | 0.88 | CYP19A1 (0.40) | CYP19A1CCR2CCR5PDE3BPDE3A | |
| SCHEMBL27771428 | 0.88 | CYP19A1 (0.39) | CYP19A1PDE3BPDE3AKDM4EGALR3 | |
| SCHEMBL27845843 | 0.87 | PPARG (0.43) | CYP19A1PDE3BPDE3AKDM4EGALR3 | |
| SCHEMBL27771475 | 0.87 | CYP19A1 (0.38) | CYP19A1PDE3BPDE3AKDM4EGALR3 | |
| SCHEMBL27771413 | 0.87 | BRS3 (0.39) | CYP19A1PDE3BPDE3AKDM4EGALR3 | |
| SCHEMBL27771371 | 0.85 | ACHE (0.38) | CYP19A1CCR2CCR5PDE3BPDE3A | |
| SCHEMBL27771424 | 0.85 | CYP19A1 (0.37) | CYP19A1PDE3BPDE3AKDM4EGALR3 |
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-0680480-A1 | PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY. | LUSO FARMACO INST (IT) | 1995-11-08 | — | — | EP | disclosed |