Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SAT1 | P21673 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | RELA | Q04206 | 4/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | ADH7 | P40394 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1454742 | 0.98 | TSHR (0.48) | SAT1TSHRALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL1452768 | 0.91 | — | — | |
| SCHEMBL664345 | 0.85 | SAT1 (0.44) | SAT1TSHRALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL18758930 | 0.84 | TSHR (0.62) | SAT1TSHRALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL8023168 | 0.81 | SAT1 (0.67) | SAT1TSHRALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL1454733 | 0.80 | — | — | |
| SCHEMBL30744262 | 0.80 | TSHR (0.69) | SAT1TSHRALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL7513630 | 0.80 | TSHR (0.69) | SAT1TSHRALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL14543224 | 0.77 | TSHR (0.59) | SAT1TSHRALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL663749 | 0.77 | SAT1 (0.46) | SAT1TSHRALDH1A1CYP2C19CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2453886-A2 | PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE | Pathologica, LLC. (US) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011009039-A2 | PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE | PATHOLOGICA LLC (US) | 2011-01-20 | — | — | WO | disclosed |