Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6661183 | 0.70 | PDK1 (0.32) | PDK1PDK2PDK3PDK4NR1I2 | |
| SCHEMBL15262579 | 0.68 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL8515125 | 0.68 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL6854105 | 0.67 | SLC6A2 (0.32) | — | |
| SCHEMBL4823560 | 0.64 | CYP1A2 (0.48) | — | |
| SCHEMBL6194711 | 0.62 | KDM4E (0.36) | — | |
| SCHEMBL1801451 | 0.61 | ESR1 (0.43) | NR1I2ALDH1A1AHR | |
| SCHEMBL1154824 | 0.60 | — | — | |
| SCHEMBL3443952 | 0.59 | CYP2C9 (0.39) | ALDH1A1 | |
| SCHEMBL8874556 | 0.59 | KIF11 (0.37) | — |
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-6600050-B2 | Inorganic and organic acids and agents, containing these compounds, for the oxidative dyeing of fibers such as hair for hair dyes | WELLA AG (DE) | 2003-07-29 | — | — | US | disclosed |
| US-20030115684-A1 | Novel diaminopyrazole derivatives and dyes containing said compounds | HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) | 2003-06-26 | — | — | US | disclosed |
| EP-1268436-A1 | NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS | Wella Aktiengesellschaft (DE) | 2003-01-02 | — | — | EP | disclosed |
| WO-2002072556-A1 | NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS | WELLA AKTIENGESELLSCHAFT (DE) | 2002-09-19 | — | — | 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-20030115684-A1 | Novel diaminopyrazole derivatives and dyes containing said compounds | AOC1, DPYD, PPOX | PDK1 487/4885PDK2 86/4885PDK3 83/4885 |
“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.