Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 3/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7929151 | 0.89 | MMP3 (0.58) | TSHRPTGS1CYP11B2KDM4ETP53 | |
| SCHEMBL1978798 | 0.87 | TSHR (0.68) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| Water SCHEMBL27280164 | 0.87 | TSHR (0.68) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| Benzene SCHEMBL28680466 | 0.87 | TSHR (0.68) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL72569 | 0.87 | TSHR (0.68) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| Water SCHEMBL27280762 | 0.87 | TSHR (0.68) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| Water SCHEMBL6336152 | 0.87 | TSHR (0.68) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| Hydrochloric Acid SCHEMBL4599950 | 0.84 | TSHR (0.65) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL28503971 | 0.84 | TSHR (0.65) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| Hydrochloric Acid SCHEMBL2338378 | 0.84 | TSHR (0.65) | TSHRGABRA1GABRG2GABRB3GABRA5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994025507-A1 | POLYMERIC SULFONIUM SALTS AND METHOD OF PREPARATION THEREOF | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1994-11-10 | — | — | WO | disclosed |