Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ADH1B | P00325 | 3/20 | 0.46 |
| ▸ | ADH1C | P00326 | 3/20 | 0.46 |
| ▸ | ADH1A | P07327 | 3/20 | 0.46 |
| ▸ | ADH7 | P40394 | 3/20 | 0.46 |
| ▸ | ADH4 | P08319 | 2/20 | 0.46 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28277183 | 0.87 | ADH1B (0.52) | TSHRADH1BADH1CADH1AADH7 | |
| SCHEMBL28277187 | 0.87 | ADH1B (0.52) | TSHRADH1BADH1CADH1AADH7 | |
| SCHEMBL28277199 | 0.87 | ADH1B (0.52) | TSHRADH1BADH1CADH1AADH7 | |
| SCHEMBL25072163 | 0.87 | ADH1B (0.52) | TSHRADH1BADH1CADH1AADH7 | |
| SCHEMBL9205136 | 0.87 | ADH1B (0.52) | TSHRADH1BADH1CADH1AADH7 | |
| SCHEMBL28275805 | 0.87 | ADH1B (0.52) | TSHRADH1BADH1CADH1AADH7 | |
| SCHEMBL9289282 | 0.87 | ADH1B (0.52) | TSHRADH1BADH1CADH1AADH7 | |
| SCHEMBL9214863 | 0.87 | ADH1B (0.52) | TSHRADH1BADH1CADH1AADH7 | |
| SCHEMBL28277181 | 0.87 | ADH1B (0.52) | TSHRADH1BADH1CADH1AADH7 | |
| SCHEMBL21702798 | 0.86 | TSHR (0.42) | TSHRALDH1A1ADH1BADH1CADH1A |
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-20210217474-A1 | STORAGE OF INFORMATION USING MIXTURES OF MOLECULES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2021-07-15 | — | — | US | disclosed |