Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5182547 | 0.91 | TSHR (0.39) | ALDH1A1CYP3A4TSHRCES2 | |
| SCHEMBL5181481 | 0.91 | TSHR (0.39) | ALDH1A1CYP3A4TSHRCES2 | |
| SCHEMBL2112339 | 0.86 | HTT (0.30) | — | |
| SCHEMBL28903671 | 0.85 | CES2 (0.34) | ALDH1A1CYP3A4TSHRCES2 | |
| SCHEMBL19379541 | 0.85 | CES2 (0.39) | ALDH1A1CYP3A4TSHRCES2 | |
| Ethylene SCHEMBL11404296 | 0.80 | ALDH1A1 (0.32) | ALDH1A1TSHRCES2 | |
| SCHEMBL1589356 | 0.80 | HTT (0.35) | ALDH1A1CES2 | |
| SCHEMBL5858206 | 0.79 | CYP4F2 (0.34) | ALDH1A1CES2 | |
| SCHEMBL18227251 | 0.78 | ALDH1A1 (0.39) | ALDH1A1TSHR | |
| SCHEMBL6636802 | 0.77 | ALDH1A1 (0.32) | ALDH1A1CYP3A4TSHR |
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-5910578-A | NOVEL AZO DYES USEFUL FOR DYEING OR PRINTING SYNTHETIC MATERIALS | BASF AKTIENGESELLSCHAFT (DE) | 1999-06-08 | — | — | US | disclosed |