Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL11683545 | 0.96 | CYP2D6 (0.31) | CYP2D6APP | |
| SCHEMBL11684241 | 0.90 | CYP2D6 (0.33) | CYP2D6 | |
| SCHEMBL11682896 | 0.88 | TSHR (0.41) | CYP2D6 | |
| 3-Chloroaniline SCHEMBL11684350 | 0.84 | ALDH1A1 (0.45) | CYP2D6 | |
| Aniline SCHEMBL11682922 | 0.81 | CYP2D6 (0.39) | CYP2D6APP | |
| SCHEMBL11683787 | 0.80 | TSHR (0.44) | — | |
| 3-Chloroaniline SCHEMBL11688132 | 0.80 | ALDH1A1 (0.46) | CYP2D6 | |
| SCHEMBL11684369 | 0.77 | TSHR (0.44) | CYP2D6 | |
| Aniline SCHEMBL11686010 | 0.77 | CYP2D6 (0.40) | CYP2D6APP | |
| SCHEMBL11686099 | 0.76 | TSHR (0.45) | — |
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-4055557-A | MONOAZO DYES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-10-25 | — | — | US | disclosed |