Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | ADH1B | P00325 | 2/20 | 0.39 |
| ▸ | ADH1C | P00326 | 2/20 | 0.39 |
| ▸ | ADH1A | P07327 | 2/20 | 0.39 |
| ▸ | ADH7 | P40394 | 2/20 | 0.39 |
| ▸ | ADH4 | P08319 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.36 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13770554 | 0.98 | TSHR (0.65) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| SCHEMBL10181340 | 0.95 | TSHR (0.62) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| SCHEMBL17831473 | 0.93 | TSHR (0.50) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| SCHEMBL19749942 | 0.90 | TSHR (0.52) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| Bromide SCHEMBL27973525 | 0.88 | TSHR (0.59) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| Hydrochloric Acid SCHEMBL6032005 | 0.88 | TSHR (0.59) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| SCHEMBL13912963 | 0.88 | TSHR (0.65) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| SCHEMBL19504379 | 0.87 | CYP2C19 (0.38) | TSHRALDH1A1CYP2C19CYP1A2MEN1 | |
| SCHEMBL12011756 | 0.85 | TSHR (0.46) | TSHRALDH1A1S1PR2S1PR4S1PR1 | |
| SCHEMBL2397649 | 0.84 | CYP2C19 (0.40) | TSHRALDH1A1CYP2C19CYP1A2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3230325-B1 | METHODS OF SEPARATING AROMATIC COMPOUNDS FROM LUBE BASE STOCKES | EXXONMOBIL RES & ENG CO (US) | 2020-06-17 | — | — | EP | disclosed |