Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 7/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | F9 | P00740 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.32 |
| ▸ | NR2C2 | P49116 | 2/20 | 0.32 |
| ▸ | CCR2 | P41597 | 2/20 | 0.32 |
| ▸ | CLK1 | P49759 | 1/20 | 0.32 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.32 |
| ▸ | HIPK4 | Q8NE63 | 2/20 | 0.32 |
| ▸ | BMP2K | Q9NSY1 | 2/20 | 0.32 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12918088 | 0.92 | PIK3CA (0.39) | PIK3CAMTORAAK1CYP3A4CLK4 | |
| SCHEMBL13256651 | 0.89 | IRAK4 (0.36) | RIPK3IRAK4AAK1CYP3A4KLKB1 | |
| SCHEMBL952919 | 0.89 | PIK3C3 (0.40) | PIK3CAMTORAAK1CYP3A4CNR1 | |
| SCHEMBL15935947 | 0.88 | PIK3CA (0.39) | PIK3CAMTORCYP3A4CNR1CNR2 | |
| SCHEMBL12947642 | 0.87 | PIK3CA (0.40) | PIK3CAMTORCYP3A4CLK4PIK3C3 | |
| SCHEMBL12947632 | 0.87 | MAPK14 (0.40) | PIK3CAMTORCYP3A4JAK2MEN1 | |
| SCHEMBL12947586 | 0.86 | MAPK14 (0.38) | PIK3CAMTORCYP3A4CNR1CNR2 | |
| SCHEMBL12947608 | 0.86 | PIK3CA (0.38) | PIK3CAMTORAAK1CYP3A4KLKB1 | |
| SCHEMBL12947754 | 0.86 | PIK3CA (0.39) | PIK3CAMTORCYP3A4CNR1CNR2 | |
| SCHEMBL12947639 | 0.86 | PIK3CA (0.39) | PIK3CAMTORCYP3A4CNR1PIK3C3 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9139589-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-09-22 | — | — | US | disclosed |
| US-9139589-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-09-22 | — | — | US | disclosed |
| US-9139589-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-09-22 | — | — | US | disclosed |
| US-8796314-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-8796314-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-8796314-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| EP-2391619-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2011-12-07 | — | — | EP | disclosed |
| US-20110003806-A1 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| US-20110003806-A1 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| US-20110003806-A1 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| US-20100256172-A1 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-10-07 | — | — | US | disclosed |
| US-20100256172-A1 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-10-07 | — | — | US | disclosed |
| US-20100256172-A1 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-10-07 | — | — | US | disclosed |
| WO-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | 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-20110003806-A1 | Heteroaryls and uses thereof | RICTOR, MTOR, AKT1S1 | PIK3CA 9/4885MTOR 2/4885RIPK3 1346/4885 |
| US-20100256172-A1 | Heteroaryls and uses thereof | PIK3R3, PIK3R1, AKT3 | PIK3CA 7/4885MTOR 130/4885RIPK3 720/4885 |
“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.