Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 1/20 | 0.40 |
| ▸ | GRK6 | P43250 | 8/20 | 0.38 |
| ▸ | AURKA | O14965 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.37 |
| ▸ | IGF1R | P08069 | 2/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HEXA | P06865 | 1/20 | 0.35 |
| ▸ | HEXB | P07686 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL801762 | 0.88 | GRK6 (0.41) | ITKGRK6AURKAIGF1RIDO1 | |
| SCHEMBL801772 | 0.73 | ITK (0.52) | ITKAURKAEGFRRAB9ASRC | |
| SCHEMBL801771 | 0.71 | RET (0.40) | GRK6AURKAIGF1RFGFR1KDR | |
| SCHEMBL14985490 | 0.69 | IDO1 (0.50) | CYP2C9IDO1METAP2RAB9AALDH1A1 | |
| SCHEMBL4172285 | 0.68 | BRAF (0.48) | ITKAURKAIDO1METAP2SRC | |
| SCHEMBL13945073 | 0.65 | ITK (0.45) | ITKAURKAIGF1REGFRSRC | |
| SCHEMBL4205034 | 0.63 | AURKA (0.60) | ITKAURKAFGFR1KDRNTRK1 | |
| SCHEMBL802002 | 0.63 | ITK (0.63) | ITKAURKAIGF1RSRCEIF2AK2 | |
| SCHEMBL3849950 | 0.62 | GRK6 (0.42) | GRK6AURKAIGF1RNTRK1CCNA2 | |
| SCHEMBL13663484 | 0.62 | JAK2 (0.49) | ITKAURKAIGF1RKDREGFR |
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 3 patents. 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 |
| US-20100256170-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-07 | — | — | US | disclosed |
| US-7390815-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-06-24 | — | — | 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 (2 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-20100256170-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, CDK3, GSK3A | ITK 1149/4885GRK6 766/4885AURKA 7/4885 |
| US-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, GSK3A, CDK19 | ITK 1124/4885GRK6 576/4885AURKA 8/4885 |
“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.