Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 9/20 | 0.33 |
| ▸ | BRAF | P15056 | 3/20 | 0.33 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | QPCT | Q16769 | 2/20 | 0.33 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4908463 | 0.83 | ROCK1 (0.45) | TNNI3KBRAFIP6K1QPCTTAS2R14 | |
| SCHEMBL4905239 | 0.80 | HSD17B1 (0.36) | IP6K1QPCTCDK1CDK2KDR | |
| SCHEMBL4897232 | 0.75 | ROCK2 (0.44) | TNNI3KBRAFCDK1CDK2KDR | |
| SCHEMBL4905370 | 0.73 | ROCK1 (0.46) | IP6K1QPCTCDK1CDK2KDR | |
| SCHEMBL31647242 | 0.71 | TAS2R14 (0.51) | TNNI3KBRAFHTR7HTR5AHTR6 | |
| SCHEMBL4897323 | 0.71 | GSK3B (0.48) | CDK1CCNB1CDK2 | |
| SCHEMBL4900176 | 0.70 | ALOX5AP (0.40) | TNNI3KBRAFIP6K1QPCTCDK1 | |
| SCHEMBL4904962 | 0.69 | GSK3B (0.47) | IP6K1QPCTCDK1CDK2KDR | |
| SCHEMBL4910893 | 0.69 | ROCK1 (0.47) | IP6K1QPCTCDK1CDK2KDR | |
| SCHEMBL4908343 | 0.69 | ROCK1 (0.46) | IP6K1CDK1CDK2KDR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080234266-A1 | Squaric Acid Derivatives II | MERCK PATENT GESELLSCHAFT (DE) | 2008-09-25 | — | — | US | claimed |
| US-20080234266-A1 | Squaric Acid Derivatives II | MERCK PATENT GESELLSCHAFT (DE) | 2008-09-25 | — | — | US | disclosed |
| US-20080234266-A1 | Squaric Acid Derivatives II | MERCK PATENT GESELLSCHAFT (DE) | 2008-09-25 | — | — | US | disclosed |
| WO-2007014608-A1 | QUADRATIC ACID II DERIVATIVES | MERCK PATENT GMBH (DE) | 2007-02-08 | — | — | WO | 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-20080234266-A1 | Squaric Acid Derivatives II | CHEK2, CHEK1, SGK3 | TNNI3K 168/4885BRAF 758/4885IP6K1 121/4885 |
“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.