Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL802474 | 0.92 | GSK3A (0.42) | GSK3AGSK3BCYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL805569 | 0.88 | CYP1A2 (0.39) | GSK3AGSK3BCYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL802476 | 0.82 | CYP1A2 (0.40) | CYP1A2ALDH1A1CYP3A4CLK4CYP2D6 | |
| SCHEMBL801838 | 0.82 | GSK3A (0.41) | GSK3AGSK3BCYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL13938645 | 0.79 | CYP1A2 (0.40) | GSK3AGSK3BCYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL12620301 | 0.76 | GSK3B (0.38) | GSK3AGSK3BCYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL12620265 | 0.74 | CYP1A2 (0.39) | GSK3AGSK3BCYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL802102 | 0.73 | CYP1A2 (0.42) | CYP1A2ALDH1A1CYP3A4CLK4CYP2D6 | |
| SCHEMBL802192 | 0.72 | GSK3A (0.75) | GSK3AGSK3BCYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL805607 | 0.71 | GSK3A (0.45) | GSK3AGSK3BCYP1A2ALDH1A1CYP3A4 |
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 | GSK3A 2/4885GSK3B 1/4885CYP1A2 3042/4885 |
“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.