Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL5330741 | 0.77 | ALDH1A1 (0.40) | ALDH1A1TSHR | |
| SCHEMBL587037 | 0.77 | — | — | |
| SCHEMBL4283092 | 0.76 | — | — | |
| SCHEMBL1417021 | 0.75 | — | — | |
| SCHEMBL13700753 | 0.74 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL6111321 | 0.73 | ALDH1A1 (0.44) | ALDH1A1TSHR | |
| SCHEMBL6835540 | 0.72 | SLC6A3 (0.36) | TSHR | |
| SCHEMBL174504 | 0.72 | GRIK1 (0.32) | — | |
| SCHEMBL11590162 | 0.72 | — | — | |
| SCHEMBL28512848 | 0.72 | TSHR (0.40) | ALDH1A1TSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8642590-B2 | Alkylcyclohexylethers of dihydrotetraazabenzoazulenes | HOFFMANN-LA ROCHE INC. (US) | 2014-02-04 | — | — | US | disclosed |
| US-8501748-B2 | Method for the production of β-ketonitriles | BASF SE (DE) | 2013-08-06 | — | — | US | disclosed |
| US-20130005970-A1 | Method for the production of beta-ketonitriles | BASF SE (DE) | 2013-01-03 | — | — | US | disclosed |
| US-8309751-B2 | Method for the production of β-ketonitriles | BASF SE (DE) | 2012-11-13 | — | — | US | disclosed |
| EP-2358714-B1 | ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES | HOFFMANN LA ROCHE (CH) | 2012-08-01 | — | — | EP | disclosed |
| US-20100125066-A1 | ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-20 | — | — | US | disclosed |
| US-20100105903-A1 | Method for the production of beta-ketonitriles | BASF SE (DE) | 2010-04-29 | — | — | 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 (3 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-20130005970-A1 | Method for the production of beta-ketonitriles | AKR1C3, AKR1C4, AKR1C1 | ALDH1A1 1382/4885TSHR 3134/4885 |
| US-20100105903-A1 | Method for the production of beta-ketonitriles | AKR1C3, AKR1C4, AKR1C1 | ALDH1A1 1382/4885TSHR 3134/4885 |
| US-20100125066-A1 | ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES | AVPR1A, AVPR1B, OXTR | ALDH1A1 298/4885TSHR 101/4885 |
“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.