Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 1/20 | 0.40 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ANPEP | P15144 | 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 | |
|---|---|---|---|---|
| SCHEMBL9323831 | 1.00 | GABBR2 (0.40) | GABBR2GABBR1ALDH1A1ANPEP | |
| SCHEMBL9192134 | 0.97 | GABBR2 (0.42) | GABBR2GABBR1ALDH1A1ANPEP | |
| SCHEMBL1875383 | 0.88 | ANPEP (0.41) | GABBR2GABBR1ALDH1A1ANPEP | |
| SCHEMBL20877861 | 0.86 | ALDH1A1 (0.45) | GABBR2GABBR1ALDH1A1ANPEP | |
| SCHEMBL13171280 | 0.86 | GABBR2 (0.36) | GABBR2GABBR1ALDH1A1 | |
| SCHEMBL30410005 | 0.86 | ALDH1A1 (0.45) | GABBR2GABBR1ALDH1A1ANPEP | |
| SCHEMBL17665014 | 0.84 | GABBR2 (0.34) | GABBR2GABBR1ALDH1A1 | |
| SCHEMBL12850147 | 0.82 | — | — | |
| SCHEMBL13602601 | 0.82 | ALDH1A1 (0.33) | GABBR2GABBR1ALDH1A1 | |
| SCHEMBL13100404 | 0.80 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5008428-A | From hydrogen cyanide, formaldehyde, and a nitrogen source | W. R. GRACE & CO.-CONN. (US) | 1991-04-16 | — | — | US | claimed |
| EP-0367364-B1 | Integrated process for the production of aminoacetonitriles | HAMPSHIRE CHEMICAL CORP (US) | 1994-02-02 | — | — | EP | disclosed |
| US-5008428-A | From hydrogen cyanide, formaldehyde, and a nitrogen source | W. R. GRACE & CO.-CONN. (US) | 1991-04-16 | — | — | US | disclosed |
| US-4478759-A | Preparation of aminoitriles | BASF AKTIENGESELLSCHAFT (DE) | 1984-10-23 | — | — | US | disclosed |
| EP-0045386-A1 | Method for the preparation of amino-nitriles | BASF Aktiengesellschaft (DE) | 1982-02-10 | — | — | EP | disclosed |