Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 7/20 | 0.40 |
| ▸ | PAK4 | O96013 | 1/20 | 0.39 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10268904 | 0.87 | CYP1A2 (0.40) | PIK3CAPAK4PAK1CYP1A2CYP3A4 | |
| SCHEMBL802094 | 0.86 | PIK3CA (0.45) | PIK3CACYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL802694 | 0.85 | CYP1A2 (0.50) | PIK3CACYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL801670 | 0.84 | PIK3CA (0.43) | PIK3CACYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL13055214 | 0.79 | PAK4 (0.36) | PIK3CAPAK4PAK1GRM4MAPK10 | |
| SCHEMBL802691 | 0.77 | GSK3A (0.46) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR | |
| SCHEMBL801723 | 0.75 | PDE5A (0.40) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR | |
| SCHEMBL801677 | 0.74 | ALDH1A1 (0.46) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR | |
| SCHEMBL801672 | 0.74 | ABCB1 (0.46) | PIK3CACYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL802311 | 0.73 | RAB9A (0.46) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR |
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-8633210-B2 | Triazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-21 | — | — | US | disclosed |
| US-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-22 | — | — | 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-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, GSK3A, CDK19 | PIK3CA 246/4885PAK4 973/4885PAK1 702/4885 |
“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.