Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 11/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 7/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | PAK4 | O96013 | 2/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 5/20 | 0.38 |
| ▸ | GSK3A | P49840 | 3/20 | 0.38 |
| ▸ | SRC | P12931 | 3/20 | 0.38 |
| ▸ | JAK2 | O60674 | 2/20 | 0.38 |
| ▸ | JAK3 | P52333 | 2/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12105461 | 0.81 | AURKA (0.52) | ITKDHODHAURKAAURKBMEN1 | |
| SCHEMBL12105469 | 0.79 | AURKA (0.46) | ITKDHODHAURKAAURKBMEN1 | |
| SCHEMBL18656760 | 0.73 | AURKA (0.63) | ITKAURKAAURKBEGFRPAK4 | |
| SCHEMBL13675323 | 0.72 | AURKA (0.64) | ITKAURKAAURKBPAK4PLK4 | |
| SCHEMBL30505062 | 0.72 | RET (0.43) | ITKAURKAAURKBEGFRPAK4 | |
| SCHEMBL17501771 | 0.71 | ITK (0.50) | ITKDHODHAURKAAURKBMEN1 | |
| SCHEMBL4046163 | 0.71 | AURKA (0.41) | AURKAAURKBMEN1HTTKMT2A | |
| SCHEMBL19833663 | 0.70 | PIK3C3 (0.49) | ITKDHODHAURKAAURKBMEN1 | |
| SCHEMBL19364254 | 0.70 | NOS3 (0.50) | ITKDHODHAURKAAURKBMEN1 | |
| SCHEMBL13663495 | 0.69 | JAK2 (0.62) | ITKDHODHAURKAAURKBMEN1 |
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-20110269732-A1 | DRUG DISCOVERY METHODS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-03 | — | — | 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-20110269732-A1 | DRUG DISCOVERY METHODS | AURKB, AURKC, AURKA | ITK 1518/4885DHODH 1284/4885AURKA 3/4885 |
“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.