Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4780410 | 0.84 | NOS3 (0.44) | PDE5ANOS3NOS1NOS2EPHX2 | |
| SCHEMBL4779107 | 0.81 | PDE5A (0.47) | PDE5ANOS3NOS1NOS2EPHX2 | |
| SCHEMBL4778365 | 0.81 | PDE5A (0.40) | PDE5ANOS3NOS1NOS2EPHX2 | |
| SCHEMBL4774100 | 0.79 | NOS3 (0.42) | PDE5ANOS3NOS1NOS2DRD2 | |
| SCHEMBL4778076 | 0.78 | PDE5A (0.40) | PDE5ANOS3NOS1NOS2DRD2 | |
| SCHEMBL14303430 | 0.78 | PDE5A (0.40) | PDE5ANOS3NOS1NOS2DRD2 | |
| SCHEMBL4778323 | 0.78 | NOS3 (0.43) | PDE5ANOS3NOS1NOS2DRD2 | |
| SCHEMBL4774683 | 0.76 | NOS3 (0.39) | PDE5ANOS3NOS1NOS2DRD2 | |
| SCHEMBL4776487 | 0.75 | PDE5A (0.38) | PDE5ANOS3NOS1NOS2EPHX2 | |
| SCHEMBL4796379 | 0.75 | PDE5A (0.38) | PDE5ANOS3NOS1NOS2EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008009963-A2 | PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS | JAMES BLACK FOUNDATION LIMITED (GB) | 2008-01-24 | — | — | WO | disclosed |