Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 13/20 | 0.44 |
| ▸ | MTOR | P42345 | 13/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL6893225 | 0.83 | PIK3CA (0.46) | PIK3CAMTOR | |
| SCHEMBL6893238 | 0.81 | PIK3CA (0.40) | PIK3CAMTOR | |
| SCHEMBL6894557 | 0.80 | PIK3CG (0.42) | PIK3CAMTOR | |
| SCHEMBL12137692 | 0.78 | HEXA (0.51) | PDE4D | |
| SCHEMBL10157585 | 0.76 | PIK3CA (0.67) | PIK3CAMTOR | |
| SCHEMBL503248 | 0.73 | PIK3CA (0.60) | PIK3CAMTOR | |
| SCHEMBL10157317 | 0.73 | MTOR (0.67) | PIK3CAMTORPTGS2ABCC4ABCB11 | |
| SCHEMBL26818552 | 0.72 | HPGDS (0.46) | PIK3CAMTORHPGDSCRHR1PTGS2 | |
| SCHEMBL10195993 | 0.71 | PIK3CA (0.64) | PIK3CAMTOR | |
| SCHEMBL10157359 | 0.70 | PIK3CA (0.69) | PIK3CAMTOR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120028952-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-02 | — | — | US | disclosed |
| US-20120028958-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-02 | — | — | US | disclosed |
| WO-2011092197-A1 | 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | WO | 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-20120028958-A1 | 5-ALKYNYL-PYRIMIDINES | MKI67, CCNA1, CCNT1 | PIK3CA 1435/4885MTOR 1358/4885HPGDS 902/4885 |
| US-20120028952-A1 | 5-ALKYNYL-PYRIMIDINES | MKI67, CCNA1, CCNT1 | PIK3CA 1371/4885MTOR 1291/4885HPGDS 670/4885 |
“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.