Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL18923 | 0.87 | — | — | |
| Fluoride SCHEMBL27787569 | 0.82 | — | — | |
| SCHEMBL10902354 | 0.82 | — | — | |
| SCHEMBL10792128 | 0.82 | — | — | |
| Acetone SCHEMBL16555820 | 0.69 | — | — | |
| Benzene SCHEMBL28217033 | 0.67 | ALDH1A1 (0.56) | ALDH1A1TSHRCYP2A6 | |
| Benzene SCHEMBL27334851 | 0.67 | ALDH1A1 (0.75) | ALDH1A1TSHR | |
| Benzene SCHEMBL27990546 | 0.64 | TSHR (0.60) | ALDH1A1TSHRCYP2A6 | |
| Benzene SCHEMBL27617253 | 0.64 | ALDH1A1 (0.33) | ALDH1A1TSHRCYP2A6 | |
| Benzene SCHEMBL28124782 | 0.64 | ALDH1A1 (0.33) | ALDH1A1TSHRCYP2A6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1031916-C | Herbicidal compositions of acylated 1,3-dicarbonyl herbicides and antidotes therefor | IGI AMERICAS INC (US) | 1996-06-05 | — | — | CN | disclosed |
| CN-1034300-A | Contain acyl groupization 1, the herbicidal composition of 3-dicarbonyl herbicides and antipoison thereof | ICI AMERICA INC (US) | 1989-08-02 | — | — | CN | disclosed |