Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL15067670 | 0.72 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL217938 | 0.71 | ALDH1A1 (0.57) | ALDH1A1TSHRHDAC8TP53TDP1 | |
| SCHEMBL16951328 | 0.71 | ALDH1A1 (0.42) | ALDH1A1TSHRHDAC8TP53TDP1 | |
| SCHEMBL3068309 | 0.71 | ALDH1A1 (0.42) | ALDH1A1TSHRHDAC8TP53TDP1 | |
| SCHEMBL1418811 | 0.70 | — | — | |
| SCHEMBL8728432 | 0.69 | ALDH1A1 (0.40) | ALDH1A1TSHRHDAC8TP53TDP1 | |
| SCHEMBL3844845 | 0.69 | ALDH1A1 (0.40) | ALDH1A1TSHRHDAC8TP53TDP1 | |
| SCHEMBL16395309 | 0.67 | HTT (0.41) | ALDH1A1 | |
| SCHEMBL16395307 | 0.67 | HTT (0.41) | ALDH1A1 | |
| SCHEMBL16476095 | 0.67 | ALDH1A1 (0.33) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2398769-A1 | NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2011-12-28 | — | — | EP | disclosed |
| US-7977372-B2 | Ortho aminoamides for the treatment of cancer | HOFFMANN-LA ROCHE INC. (US) | 2011-07-12 | — | — | US | disclosed |
| WO-2010094678-A1 | NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-26 | — | — | WO | disclosed |
| US-20100216806-A1 | ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER | HOFFMANN-LA ROCHE, INC. | 2010-08-26 | — | — | 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-20100216806-A1 | ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER | HDAC5, HDAC1, HDAC4 | ALDH1A1 1218/4885TSHR 2931/4885HDAC8 5/4885 |
“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.