Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL407728 | 0.88 | TSHR (0.43) | AOC3TSHRTP53ALDH1A1KCNN4 | |
| Benzene SCHEMBL27657773 | 0.82 | TSHR (0.38) | TSHRTP53ALDH1A1KCNN4 | |
| Benzene SCHEMBL2998219 | 0.82 | TSHR (0.38) | TSHRTP53ALDH1A1KCNN4 | |
| Benzene SCHEMBL11550767 | 0.82 | TSHR (0.38) | TSHRTP53ALDH1A1KCNN4 | |
| Benzene SCHEMBL3158415 | 0.82 | TSHR (0.38) | TSHRTP53ALDH1A1KCNN4 | |
| Benzene SCHEMBL28304246 | 0.82 | TSHR (0.38) | TSHRTP53ALDH1A1KCNN4 | |
| Benzene SCHEMBL11054766 | 0.82 | TSHR (0.38) | TSHRTP53ALDH1A1KCNN4 | |
| Benzene SCHEMBL6037412 | 0.82 | TSHR (0.38) | TSHRTP53ALDH1A1KCNN4 | |
| Trimethylammonium SCHEMBL27504675 | 0.82 | — | — | |
| Benzene SCHEMBL11875272 | 0.78 | AOC3 (0.40) | AOC3TSHRTP53ALDH1A1KCNN4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105524114-A | Series of deep blue metal iridium phosphorescence OLED materials | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO LTD | 2016-04-27 | — | — | CN | disclosed |