Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 6/20 | 0.58 |
| ▸ | NOS1 | P29475 | 6/20 | 0.58 |
| ▸ | NOS2 | P35228 | 4/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.48 |
| ▸ | HTR3B | O95264 | 2/20 | 0.48 |
| ▸ | HTR3A | P46098 | 2/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.48 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.48 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.48 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4856119 | 1.00 | NOS3 (0.58) | NOS3NOS1NOS2CYP2D6HTR3E | |
| SCHEMBL4853071 | 0.85 | CYP2D6 (0.64) | NOS3NOS1NOS2CYP2D6HTR3E | |
| SCHEMBL4861629 | 0.84 | NOS3 (0.54) | NOS3NOS1NOS2CYP2D6HIF1A | |
| SCHEMBL4852965 | 0.83 | NOS1 (0.58) | NOS3NOS1CYP2D6SLC22A2SLC22A1 | |
| SCHEMBL4857038 | 0.83 | NOS1 (0.58) | NOS3NOS1NOS2CYP2D6SLC22A2 | |
| SCHEMBL4854767 | 0.83 | NOS1 (0.58) | NOS3NOS1NOS2CYP2D6SLC22A2 | |
| SCHEMBL4857014 | 0.83 | MEN1 (0.66) | NOS3NOS1NOS2CYP2D6HTR3E | |
| SCHEMBL4861886 | 0.81 | NOS3 (0.54) | NOS3NOS1NOS2CYP2D6HTR3E | |
| SCHEMBL4860016 | 0.81 | NOS3 (0.54) | NOS3NOS1CYP2D6SLC22A2SLC22A1 | |
| SCHEMBL4854660 | 0.81 | NOS1 (0.54) | NOS3NOS1NOS2CYP2D6PLAU |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7365069-B2 | Pyrimidone derivatives | BEXEL PHARMACEUTICALS INC. (US) | 2008-04-29 | — | — | US | disclosed |
| US-20040259891-A1 | Novel pyrimidon derivatives | ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) | 2004-12-23 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040259891-A1 | Novel pyrimidon derivatives | TYMS, TPMT, TYMP | NOS3 3830/4885NOS1 3074/4885NOS2 3568/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.