Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 3/20 | 0.53 |
| ▸ | ABL2 | P42684 | 2/20 | 0.53 |
| ▸ | GRM5 | P41594 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.39 |
| ▸ | CDK7 | P50613 | 1/20 | 0.39 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL12710137 | 0.80 | ABL1 (0.51) | ABL1ABL2CYP2C9CLK4PIK3CA | |
| SCHEMBL12710083 | 0.79 | ABL1 (0.50) | ABL1ABL2CYP2C9PIK3CAPIK3CG | |
| SCHEMBL12710081 | 0.76 | ABL1 (0.49) | ABL1ABL2CYP2C9PIK3CAPIK3CG | |
| SCHEMBL11353 | 0.75 | CYP2A6 (0.44) | GRM5CYP1A2CYP2A6CYP2C9CHRNB2 | |
| SCHEMBL10369 | 0.74 | CYP1A2 (0.56) | ABL1CYP1A2ADORA2AADORA1CYP2A6 | |
| SCHEMBL12710135 | 0.73 | PIK3CG (0.49) | ABL1ABL2FFAR1CYP2C9PIK3CA | |
| SCHEMBL11562 | 0.71 | GRM5 (0.42) | ABL1ABL2GRM5CYP1A2CYP2A6 | |
| SCHEMBL3712399 | 0.69 | GRM5 (0.46) | GRM5CYP1A2ADORA2AADORA1 | |
| SCHEMBL22833582 | 0.68 | CSF1R (0.58) | ABL1CSF1RKIT | |
| SCHEMBL23009368 | 0.67 | CYP2A6 (0.51) | GRM5CYP1A2FFAR1CYP2A6CYP2C9 |
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 5 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 |
| 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 | ABL1 212/4885ABL2 1079/4885GRM5 2565/4885 |
“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.