Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 17/20 | 0.67 |
| ▸ | MTOR | P42345 | 17/20 | 0.67 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10197838 | 0.91 | PIK3CA (0.66) | PIK3CAMTORRPS6KB1AKT1 | |
| SCHEMBL10195993 | 0.86 | PIK3CA (0.64) | PIK3CAMTORRPS6KB1AKT1 | |
| SCHEMBL10197912 | 0.82 | PIK3CA (0.66) | PIK3CAMTORCHRM4 | |
| SCHEMBL10196538 | 0.82 | PIK3CA (0.68) | PIK3CAMTORSYK | |
| SCHEMBL10195401 | 0.80 | PIK3CA (0.67) | PIK3CAMTOR | |
| SCHEMBL6894304 | 0.80 | PIK3CA (1.00) | PIK3CAMTOR | |
| SCHEMBL10195985 | 0.80 | PIK3CA (0.66) | PIK3CAMTOR | |
| SCHEMBL10196526 | 0.79 | MTOR (0.68) | PIK3CAMTOR | |
| SCHEMBL10195403 | 0.79 | PIK3CA (0.68) | PIK3CAMTORRPS6KB1AKT1 | |
| SCHEMBL10196548 | 0.78 | PIK3CA (0.68) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120028958-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-02 | — | — | 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-20120028958-A1 | 5-ALKYNYL-PYRIMIDINES | MKI67, CCNA1, CCNT1 | PIK3CA 1435/4885MTOR 1358/4885RPS6KB1 268/4885 |
“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.