Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL5542963 | 0.79 | NOTUM (0.34) | — | |
| SCHEMBL7974038 | 0.71 | ALDH1A1 (0.34) | ALDH1A1MAOAMAOB | |
| SCHEMBL5545597 | 0.68 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL4116888 | 0.67 | ALDH1A1 (0.42) | ALDH1A1MAOA | |
| SCHEMBL19783319 | 0.66 | CYP1A2 (0.41) | ALDH1A1MAOAMAOB | |
| SCHEMBL7972471 | 0.64 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL7976442 | 0.64 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL1047515 | 0.64 | ALDH1A1 (0.56) | ALDH1A1 | |
| SCHEMBL2560197 | 0.62 | ALDH1A1 (0.53) | ALDH1A1 | |
| SCHEMBL28069126 | 0.62 | ALDH1A1 (0.53) | ALDH1A1 |
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-6268514-B1 | TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-31 | — | — | US | disclosed |