Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL17170062 | 0.85 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL28210896 | 0.82 | CYP3A4 (0.60) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL29648904 | 0.80 | CYP3A4 (0.48) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL93414 | 0.80 | CYP3A4 (0.48) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL7723447 | 0.79 | GABRA1 (0.55) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL9551403 | 0.79 | CYP3A4 (0.48) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL11234939 | 0.79 | GABRA1 (0.50) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL11870989 | 0.78 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL163526 | 0.77 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2ALDH1A1TRPA1 | |
| SCHEMBL10885416 | 0.76 | CYP3A4 (0.46) | CYP3A4GABRA1GABRB2ALDH1A1TRPA1 |
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-4331821-A | ULTRAVIOLET RADIATION OF A VAPORIZED ALKYLBENZEN AND HALOGEN GAS MIXTURE | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-25 | — | — | US | disclosed |