Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL21147091 | 0.94 | ALDH1A1 (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL20604028 | 0.94 | ALDH1A1 (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL19217559 | 0.94 | ALDH1A1 (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL8739143 | 0.94 | ALDH1A1 (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL18473954 | 0.94 | ALDH1A1 (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL15383 | 0.94 | ALDH1A1 (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL8739288 | 0.94 | ALDH1A1 (0.33) | ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL9228552 | 0.92 | MEN1 (0.35) | ALDH1A1CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL7183446 | 0.92 | ALDH1A1 (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL4630808 | 0.91 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6583216-B1 | Crosslinking agents are storage stable with little yellowing; 1,6-diisocyanatohexane blocked with diethyl malonate, 1-amino-3,3,5- trimethyl-5-aminomethylcyclohexane, and formaldehyde | BAYER AKTIENGESELLSCHAFT (DE) | 2003-06-24 | — | — | US | disclosed |