Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | FADS1 | O60427 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL801513 | 0.89 | TRPA1 (0.40) | EGFRCYP1A2CLK4CYP3A4CYP2D6 | |
| SCHEMBL12619097 | 0.83 | CLK4 (0.40) | EGFRCYP1A2CLK4CYP3A4CYP2D6 | |
| SCHEMBL802102 | 0.80 | CYP1A2 (0.42) | EGFRCYP1A2CLK4CYP3A4CYP2D6 | |
| SCHEMBL802476 | 0.78 | CYP1A2 (0.40) | EGFRCYP1A2CLK4CYP3A4CYP2D6 | |
| SCHEMBL786350 | 0.78 | TRPA1 (0.47) | EGFRCYP1A2CLK4CYP3A4CYP2D6 | |
| SCHEMBL13107247 | 0.76 | TRPA1 (0.45) | EGFRCYP1A2CLK4CYP3A4CYP2D6 | |
| SCHEMBL805570 | 0.74 | CYP1A2 (0.42) | CYP1A2CLK4CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL12619169 | 0.73 | TRPA1 (0.39) | EGFRCYP1A2CLK4CYP3A4CYP2D6 | |
| SCHEMBL15427399 | 0.73 | TRPA1 (0.43) | EGFRCYP1A2CLK4CYP3A4CYP2D6 | |
| SCHEMBL12619095 | 0.72 | CYP1A2 (0.42) | CYP1A2CLK4CYP3A4CYP2D6ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | EGFR 154/4885CYP1A2 3042/4885CLK4 666/4885 |
“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.