Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 5/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | USP9X | Q93008 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10308559 | 0.87 | PIK3CA (0.45) | PIK3CASLC6A3CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10288574 | 0.84 | HPGD (0.38) | PIK3CASLC6A3CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10288607 | 0.83 | SLC6A2 (0.36) | PIK3CASLC6A3CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10288409 | 0.82 | ALDH1A1 (0.37) | PIK3CAPIK3R1ALDH1A1MEN1KMT2A | |
| SCHEMBL10288594 | 0.80 | ALDH1A1 (0.36) | PIK3CASLC6A3CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL623045 | 0.77 | PIK3CA (0.41) | PIK3CASLC6A3CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL622922 | 0.76 | PIK3CA (0.47) | PIK3CASLC6A3CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10288591 | 0.76 | PIK3CA (0.36) | PIK3CACYP3A4PIK3R1ALDH1A1HPGD | |
| SCHEMBL10298537 | 0.75 | SLC6A3 (0.37) | PIK3CASLC6A3CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10298720 | 0.75 | PIK3CA (0.46) | PIK3CASLC6A3CYP3A4CYP2D6SLC6A2 |
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-20120172345-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-07-05 | — | — | US | disclosed |
| WO-2012021696-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | 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 (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-20120172345-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | PIK3CA 5/4885SLC6A3 4105/4885CYP3A4 958/4885 |
“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.