Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8016460 | 1.00 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL11422745 | 0.88 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL11419828 | 0.83 | CA1 (0.41) | ALDH1A1 | |
| SCHEMBL439828 | 0.82 | EPHX1 (0.33) | — | |
| SCHEMBL18855928 | 0.81 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL11451590 | 0.81 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL11589620 | 0.78 | APLNR (0.37) | — | |
| SCHEMBL4040038 | 0.77 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL4043026 | 0.77 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL10822980 | 0.75 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4510097-A | Hindered aliphatic monoisocyanates | W. R. GRACE & CO. (US) | 1985-04-09 | — | — | US | claimed |
| US-4211847-A | CYCLOHEXYL ISOTHIOCYANATE OR HINDERED CYCLOALIPHATIC ISOCYANATE | W. R. GRACE & CO. (US) | 1980-07-08 | — | — | US | claimed |
| EP-0800512-B1 | ANTIHERPES PEPTIDOMIMETIC COMPOUNDS | BOEHRINGER INGELHEIM CA LTD (CA) | 2000-01-05 | — | — | EP | disclosed |
| US-5846941-A | Isosteric antiherpes peptide derivatives II | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 1998-12-08 | — | — | US | disclosed |
| EP-0800512-A1 | ANTIHERPES PEPTIDOMIMETIC COMPOUNDS | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 1997-10-15 | — | — | EP | disclosed |
| WO-1996020171-A1 | ANTIHERPES PEPTIDOMIMETIC COMPOUNDS | BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE (CA) | 1996-07-04 | — | — | WO | disclosed |
| US-4510097-A | Hindered aliphatic monoisocyanates | W. R. GRACE & CO. (US) | 1985-04-09 | — | — | US | disclosed |
| US-4211847-A | CYCLOHEXYL ISOTHIOCYANATE OR HINDERED CYCLOALIPHATIC ISOCYANATE | W. R. GRACE & CO. (US) | 1980-07-08 | — | — | US | disclosed |