Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 9/20 | 0.47 |
| ▸ | TSHR | P16473 | 9/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.47 |
| ▸ | GSK3B | P49841 | 2/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | IKBKB | O14920 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | PAK4 | O96013 | 1/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | INSR | P06213 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.47 |
| ▸ | SELP | P16109 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19355418 | 0.91 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL20373137 | 0.84 | CYP3A4 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL17634517 | 0.84 | CYP3A4 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL19355250 | 0.84 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL15342939 | 0.83 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL19905240 | 0.82 | SYK (0.41) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL16664942 | 0.81 | SYK (0.49) | GSK3BTYRO3IKBKESYKFLT3 | |
| SCHEMBL15343334 | 0.81 | JAK2 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL19905387 | 0.80 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL15343097 | 0.80 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 |
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-20170258789-A1 | DNA-PK INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-09-14 | — | — | 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-20170258789-A1 | DNA-PK INHIBITORS | POLK, DTYMK, DCK | CYP1A2 2215/4885CYP3A4 1759/4885CYP2D6 984/4885 |
“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.