Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | PDE5A | O76074 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 3/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL4778323 | 0.99 | NOS3 (0.43) | NOS3NOS1NOS2PDE5AMAOB | |
| SCHEMBL4778076 | 0.90 | PDE5A (0.40) | NOS3NOS1NOS2PDE5AMEN1 | |
| SCHEMBL4778365 | 0.87 | PDE5A (0.40) | NOS3NOS1NOS2PDE5AMEN1 | |
| SCHEMBL14303430 | 0.87 | PDE5A (0.40) | NOS3NOS1NOS2PDE5AMEN1 | |
| SCHEMBL4776487 | 0.83 | PDE5A (0.38) | NOS3NOS1NOS2PDE5AALDH1A1 | |
| SCHEMBL4780443 | 0.83 | PDE5A (0.38) | NOS3NOS1NOS2PDE5AALDH1A1 | |
| SCHEMBL4796379 | 0.83 | PDE5A (0.38) | NOS3NOS1NOS2PDE5AALDH1A1 | |
| SCHEMBL4776170 | 0.83 | CYP19A1 (0.39) | NOS3NOS1NOS2PDE5AMEN1 | |
| SCHEMBL4774683 | 0.82 | NOS3 (0.39) | NOS3NOS1NOS2PDE5AMAOB | |
| SCHEMBL4780429 | 0.82 | MOK (0.42) | MEN1ALDH1A1HPGDKMT2AMAPT |
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 |