Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | TSHR | P16473 | 6/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | HBB | P68871 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2779576 | 0.73 | ALDH1A1 (0.48) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL1551933 | 0.73 | ALDH1A1 (0.48) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL5182596 | 0.71 | ALDH1A1 (0.48) | ALDH1A1TSHRALOX15HSD17B10HPGD | |
| SCHEMBL194462 | 0.71 | ALDH1A1 (0.46) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL9127771 | 0.71 | ALDH1A1 (0.46) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL7690993 | 0.68 | ALDH1A1 (0.42) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL65261 | 0.66 | ALDH1A1 (1.00) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL50071 | 0.66 | — | — | |
| 4-Dimethylaminophenol SCHEMBL9792507 | 0.66 | APP (0.73) | ALDH1A1TSHRALOX15HSD17B10APP | |
| 4-Dimethylaminophenol SCHEMBL224308 | 0.66 | APP (0.73) | ALDH1A1TSHRALOX15HSD17B10APP |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1321116-C | Azepane derivatives | HOFFMANN LA ROCHE (CH) | 2007-06-13 | — | — | CN | claimed |
| CN-1639151-A | Novel azepane derivatives | HOFFMANN LA ROCHE (CH) | 2005-07-13 | — | — | CN | claimed |
| US-6887864-B2 | Azepane derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-05-03 | — | — | US | claimed |
| US-20030181716-A1 | Novel azepane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-25 | — | — | US | claimed |
| CN-105820165-B | Alpha-carboline compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2021-05-04 | — | — | CN | disclosed |
| CN-105820165-A | Alpha-carboline compounds, preparation method thereof and purpose thereof | 中国科学院上海药物研究所 | 2016-08-03 | — | — | CN | disclosed |
| CN-1321116-C | Azepane derivatives | HOFFMANN LA ROCHE (CH) | 2007-06-13 | — | — | CN | disclosed |
| CN-1639151-A | Novel azepane derivatives | HOFFMANN LA ROCHE (CH) | 2005-07-13 | — | — | CN | disclosed |
| US-6887864-B2 | Azepane derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-05-03 | — | — | US | disclosed |
| EP-1487819-A2 | AZEPANE DERIVATIVES AND THEIR USE AS ATK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-12-22 | — | — | EP | disclosed |
| US-20030181716-A1 | Novel azepane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-25 | — | — | US | disclosed |
| WO-2003076429-A2 | AZEPANE DERIVATIVES AND THEIR USE AS ATK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-18 | — | — | WO | disclosed |
| US-5191073-A | Indicators for colorimetric analysis of enzymes | MILES INC. (US) | 1993-03-02 | — | — | US | disclosed |
| US-5122602-A | Optical indicators; medical diagnosis; quantitative analysis; immunoassay | MILES INC. (US) | 1992-06-16 | — | — | US | disclosed |
| EP-0383092-A2 | Chromogenic merocyanine enzyme substrates | Bayer Corporation (US) | 1990-08-22 | — | — | EP | 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-20030181716-A1 | Novel azepane derivatives | MKI67, MCL1, CD47 | ALDH1A1 342/4885TSHR 4102/4885ALOX15 400/4885 |
“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.