Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MYC | P01106 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4774672 | 0.88 | NOS3 (0.43) | NOS3NOS1NOS2ALDH1A1MAOB | |
| SCHEMBL4776218 | 0.85 | CYP19A1 (0.42) | ALDH1A1RAB9AMAPK1MEN1MAPT | |
| SCHEMBL4776706 | 0.81 | PLA2G2A (0.42) | NOS3NOS1NOS2HRH2HRH3 | |
| SCHEMBL4776700 | 0.79 | HRH2 (0.42) | NOS3NOS1NOS2ALDH1A1MAOB | |
| SCHEMBL4776778 | 0.79 | NFE2L2 (0.44) | NOS3NOS1NOS2ALDH1A1MAOB | |
| SCHEMBL4794147 | 0.79 | PTGIR (0.40) | — | |
| SCHEMBL4776697 | 0.74 | HRH2 (0.37) | NOS3NOS1NOS2ALDH1A1MAOB | |
| SCHEMBL4774611 | 0.73 | LTB4R (0.47) | ALDH1A1RAB9AMAPK1MEN1MAPT | |
| SCHEMBL4778112 | 0.71 | NOS3 (0.47) | NOS3NOS1NOS2ALDH1A1MAOB | |
| SCHEMBL4778323 | 0.68 | NOS3 (0.43) | NOS3NOS1NOS2ALDH1A1MAOB |
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 |