Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | MMP3 | P08254 | 1/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.53 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.53 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.53 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.53 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL27280164 | 0.93 | TSHR (0.68) | KIF11TSHRMMP3CYP11B2GABRA1 | |
| SCHEMBL1978798 | 0.93 | TSHR (0.68) | KIF11TSHRMMP3CYP11B2GABRA1 | |
| Water SCHEMBL27280762 | 0.93 | TSHR (0.68) | KIF11TSHRMMP3CYP11B2GABRA1 | |
| Water SCHEMBL6336152 | 0.93 | TSHR (0.68) | KIF11TSHRMMP3CYP11B2GABRA1 | |
| SCHEMBL72569 | 0.93 | TSHR (0.68) | KIF11TSHRMMP3CYP11B2GABRA1 | |
| Benzene SCHEMBL28680466 | 0.93 | TSHR (0.68) | KIF11TSHRMMP3CYP11B2GABRA1 | |
| Hydrochloric Acid SCHEMBL4599950 | 0.90 | TSHR (0.65) | KIF11TSHRMMP3CYP11B2GABRA1 | |
| Hydrochloric Acid SCHEMBL2338378 | 0.90 | TSHR (0.65) | KIF11TSHRMMP3CYP11B2GABRA1 | |
| SCHEMBL28503971 | 0.90 | TSHR (0.65) | KIF11TSHRMMP3CYP11B2GABRA1 | |
| Cyanide SCHEMBL28220142 | 0.88 | TSHR (0.62) | KIF11TSHRMMP3CYP11B2GABRA1 |
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-109456437-B | Spiral copolymer conductive material and preparation method thereof | 东南大学 | 2021-01-05 | — | — | CN | claimed |