Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.52 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 2/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.42 |
| ▸ | CDK7 | P50613 | 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 | |
|---|---|---|---|---|
| SCHEMBL3972385 | 0.78 | ADORA2A (0.37) | CYP1A2ADORA2AADORA1PIK3CGALDH1A1 | |
| SCHEMBL3972288 | 0.78 | PTGS2 (0.38) | CYP1A2ADORA2AADORA1PIK3CGABL1 | |
| SCHEMBL10447 | 0.77 | PIK3CG (0.45) | PIK3CAPIK3CG | |
| SCHEMBL12279439 | 0.76 | CYP2A6 (0.54) | CYP1A2ALDH1A1HSD17B10CYP2A6CYP2A13 | |
| SCHEMBL12278777 | 0.76 | NR4A2 (0.49) | ALDH1A1HSD17B10CYP2A6CYP2A13ABL1 | |
| SCHEMBL10499 | 0.75 | PIK3CG (0.44) | PIK3CAPIK3CG | |
| SCHEMBL11005 | 0.74 | ABL1 (0.53) | CYP1A2ADORA2AADORA1PIK3CAPIK3CG | |
| SCHEMBL3973580 | 0.74 | ADORA1 (0.37) | CYP1A2ADORA2AADORA1HSD17B10ABL1 | |
| SCHEMBL10361 | 0.74 | PIK3CG (0.49) | PIK3CAPIK3CGCYP2C9 | |
| SCHEMBL4508178 | 0.74 | PIP4K2A (0.48) | PIK3CAPIK3CGCYP11B2 |
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-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 |
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 | CYP1A2 1605/4885ADORA2A 2470/4885ADORA1 3081/4885 |
“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.