Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL11050742 | 1.00 | ALDH1A1 (0.37) | ALDH1A1CYP2D6ALOX15 | |
| SCHEMBL18430011 | 0.85 | — | — | |
| SCHEMBL6103779 | 0.81 | — | — | |
| SCHEMBL9174584 | 0.81 | — | — | |
| SCHEMBL1961400 | 0.81 | — | — | |
| SCHEMBL1961401 | 0.81 | — | — | |
| SCHEMBL8771054 | 0.79 | — | — | |
| SCHEMBL175412 | 0.74 | ALOX15 (0.34) | ALOX15 | |
| SCHEMBL7523090 | 0.72 | MCL1 (0.30) | — | |
| SCHEMBL10940432 | 0.71 | MEN1 (0.31) | — |
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-4532082-A | Preparation of 3-cyano-2-alkylalkanals | BASF AKTIENGESELLSCHAFT (DE) | 1985-07-30 | — | — | US | disclosed |