Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 8/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | ABL2 | P42684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11353 | 0.78 | CYP2A6 (0.44) | GRM5CYP2A6CYP2D6CYP1A2CHRNB2 | |
| SCHEMBL12733382 | 0.72 | CYP2A6 (0.46) | CYP2A6CYP2D6CYP1A2CYP2C9CYP2B6 | |
| SCHEMBL11005 | 0.71 | ABL1 (0.53) | GRM5CYP2A6CYP1A2CHRNB2CHRNA4 | |
| SCHEMBL3796332 | 0.69 | CYP2A6 (0.67) | GRM5CYP2A6CYP2D6CYP1A2CHRNB2 | |
| SCHEMBL24416463 | 0.67 | GRM5 (0.56) | GRM5CYP2A6CYP2D6CYP1A2CHRNB2 | |
| SCHEMBL17708571 | 0.66 | NOS1 (0.41) | GRM5CYP2A6CYP2D6CYP1A2CHRNB2 | |
| SCHEMBL6125259 | 0.66 | BAZ2B (0.37) | CYP1A2CYP3A4 | |
| SCHEMBL31673182 | 0.66 | GRM5 (0.71) | GRM5CYP2A6CYP2D6CYP1A2CHRNB2 | |
| SCHEMBL31673257 | 0.66 | GRM5 (0.54) | GRM5CYP2A6CYP2D6CYP1A2CHRNB2 | |
| SCHEMBL1476990 | 0.66 | GRM5 (0.71) | GRM5CYP2A6CYP2D6CYP1A2CHRNB2 |
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 |
| 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 |
| 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 | GRM5 2565/4885CYP2A6 2358/4885CYP2D6 2725/4885 |
“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.