Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL33061 | 1.00 | ALDH1A1 (0.67) | ALDH1A1EPHX1HIF1A | |
| SCHEMBL2584848 | 1.00 | ALDH1A1 (0.67) | ALDH1A1EPHX1HIF1A | |
| SCHEMBL15010774 | 0.97 | ALDH1A1 (0.64) | ALDH1A1EPHX1HIF1A | |
| SCHEMBL19808067 | 0.95 | ALDH1A1 (0.68) | ALDH1A1EPHX1HIF1A | |
| SCHEMBL8618390 | 0.94 | ALDH1A1 (0.75) | ALDH1A1EPHX1HIF1A | |
| SCHEMBL5970458 | 0.92 | ALDH1A1 (0.80) | ALDH1A1EPHX1HIF1A | |
| Methane SCHEMBL6914875 | 0.91 | ALDH1A1 (0.56) | ALDH1A1EPHX1HIF1A | |
| SCHEMBL3908560 | 0.89 | ALDH1A1 (0.54) | ALDH1A1EPHX1HIF1A | |
| SCHEMBL14523885 | 0.88 | ALDH1A1 (0.83) | ALDH1A1EPHX1HIF1A | |
| SCHEMBL540664 | 0.88 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0727453-B1 | Isocyanurate polyisocyanates made from 1,3-diisocyanatecycloalcanes | BAYER AG (DE) | 1998-05-20 | — | — | EP | disclosed |
| EP-0727453-A1 | Isocyanurate polyisocyanates made from 1,3-diisocyanatecycloalcanes | BAYER AG (DE) | 1996-08-21 | — | — | EP | disclosed |
| EP-0014365-A1 | Process for the preparation of linear heterocyclic nylon-1 polymers, their use as masked diisocyanates for the preparation of polyurethane plastics and a process for the preparation of mainly pure cycloaliphatic diisocyanate-stereo isomers | Mobay Chemical Corporation (US) | 1980-08-20 | — | — | EP | disclosed |