Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.72 |
| ▸ | BCHE | P06276 | 9/20 | 0.72 |
| ▸ | MAPT | P10636 | 1/20 | 0.65 |
| ▸ | GSR | P00390 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7413928 | 1.00 | ALDH1A1 (0.72) | ALDH1A1BCHEMAPTGSRCA2 | |
| SCHEMBL13205160 | 0.90 | BCHE (0.60) | ALDH1A1BCHEMAPTGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL4073446 | 0.89 | ALDH1A1 (0.78) | ALDH1A1BCHEMAPTGSRCA2 | |
| SCHEMBL3491545 | 0.88 | ALDH1A1 (0.75) | ALDH1A1BCHEMAPTGSRCA2 | |
| SCHEMBL3494230 | 0.88 | ALDH1A1 (0.75) | ALDH1A1BCHEMAPTGSRCA2 | |
| SCHEMBL3489939 | 0.88 | ALDH1A1 (0.75) | ALDH1A1BCHEMAPTGSRCA2 | |
| SCHEMBL3494232 | 0.86 | ALDH1A1 (0.72) | ALDH1A1BCHEMAPTGSRCA2 | |
| SCHEMBL3491547 | 0.86 | ALDH1A1 (0.72) | ALDH1A1BCHEMAPTGSRCA2 | |
| SCHEMBL3489942 | 0.86 | ALDH1A1 (0.72) | ALDH1A1BCHEMAPTGSRCA2 | |
| SCHEMBL3489944 | 0.86 | ALDH1A1 (0.72) | ALDH1A1BCHEMAPTGSRCA2 |
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-0530671-B1 | Process for the enzymatic preparation of pure isosorbide-2 or 5-monoester-isomers and conversion to isosorbide-2- and 5-nitrate | BOEHRINGER MANNHEIM GMBH (DE) | 1997-10-08 | — | — | EP | disclosed |
| US-5614643-A | Process for the enzymatic production of isomerically pure isosorbide-2 and 5-monoesters as well as their conversion into isosorbide-2- and 5-nitrate | BOEHRINGER MANNHEIM GMBH (DE) | 1997-03-25 | — | — | US | disclosed |
| US-5538891-A | HYDROLYSIS OF DIESTERS TO FORM ALCOHOLS AND NITRATION TO FORM NITRATES | BOEHRINGER MANNHEIM GMBH (DE) | 1996-07-23 | — | — | US | disclosed |
| EP-0530671-A2 | Process for the enzymatic preparation of pure isosorbide-2 or 5-monoester-isomers and conversion to isosorbide-2- and 5-nitrate | Roche Diagnostics GmbH (DE) | 1993-03-10 | — | — | EP | disclosed |