Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | VNN1 | O95497 | 3/20 | 0.35 |
| ▸ | SCD | O00767 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | PDE9A | O76083 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 10/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | TNF | P01375 | 2/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.32 |
| ▸ | JUN | P05412 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12796394 | 1.00 | CXCR4 (0.37) | CXCR4VNN1SCDPDE5APDE9A | |
| SCHEMBL12796397 | 0.89 | VNN1 (0.37) | CXCR4VNN1SCDPDE5APDE9A | |
| SCHEMBL12796398 | 0.89 | SCD (0.39) | CXCR4VNN1SCDPDE5APDE9A | |
| SCHEMBL12796373 | 0.87 | LRRK2 (0.41) | CXCR4SCDCNR2CYP1A2CYP2D6 | |
| SCHEMBL12796381 | 0.87 | LRRK2 (0.41) | CXCR4SCDCNR2CYP1A2CYP2D6 | |
| SCHEMBL12796374 | 0.85 | CXCR4 (0.37) | CXCR4SCDPDE5APDE9ACNR2 | |
| SCHEMBL12796366 | 0.85 | CXCR4 (0.37) | CXCR4SCDPDE5APDE9ACNR2 | |
| SCHEMBL12796026 | 0.84 | PDE5A (0.44) | PDE5APDE9ACNR2CYP1A2CYP2D6 | |
| SCHEMBL12796021 | 0.84 | PDE5A (0.44) | PDE5APDE9ACNR2CYP1A2CYP2D6 | |
| SCHEMBL12795985 | 0.81 | MAPT (0.47) | PDE5APDE9ACNR2CYP1A2CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130310373-A1 | PYRIMIDINE COMPOUND | ASTELLAS PHARMA INC. (JP) | 2013-11-21 | — | — | US | disclosed |
| US-8524727-B2 | Pyrimidine compound | ASTELLAS PHARMA INC. (JP) | 2013-09-03 | — | — | US | disclosed |
| EP-2415765-A1 | PYRIMIDINE COMPOUND | Astellas Pharma Inc. (JP) | 2012-02-08 | — | — | EP | disclosed |
| US-20110053912-A1 | PYRIMIDINE COMPOUND | ASTELLAS PHARMA INC. (JP) | 2011-03-03 | — | — | 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 (2 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-20110053912-A1 | PYRIMIDINE COMPOUND | CNR2, CNR1, P2RY2 | CXCR4 350/4885VNN1 3256/4885SCD 1093/4885 |
| US-20130310373-A1 | PYRIMIDINE COMPOUND | CNR2, CNR1, P2RY2 | CXCR4 206/4885VNN1 2974/4885SCD 1251/4885 |
“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.