Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | GRM5 | P41594 | 7/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11562 | 0.78 | GRM5 (0.42) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL11005 | 0.75 | ABL1 (0.53) | CYP2A6CYP2C9CYP2B6CYP2C19GRM5 | |
| SCHEMBL3796332 | 0.73 | CYP2A6 (0.67) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL2806708 | 0.69 | MEN1 (0.55) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL13907278 | 0.69 | CYP2A6 (0.62) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL10322 | 0.69 | CYP2A6 (0.51) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL15617603 | 0.68 | CYP2A6 (0.51) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL401836 | 0.67 | GRM5 (0.64) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL31673222 | 0.67 | GRM5 (0.64) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 | |
| SCHEMBL24416463 | 0.67 | GRM5 (0.56) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2488511-A1 | PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | Vertex Pharmaceuticals Incorporated (US) | 2012-08-22 | — | — | EP | disclosed |
| US-20110081316-A1 | PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-07 | — | — | US | disclosed |
| WO-2011041634-A1 | PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-07 | — | — | WO | disclosed |
| US-20110081316-A1 | PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-07 | — | — | 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-20110081316-A1 | PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | PIK3CA, PIK3CD, PIK3CG | CYP2A6 2358/4885CYP2C9 2078/4885CYP2B6 1942/4885 |
“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.