Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.88 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.81 |
| ▸ | MEN1 | O00255 | 1/20 | 0.81 |
| ▸ | GLA | P06280 | 1/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.81 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | SAT1 | P21673 | 3/20 | 0.56 |
| ▸ | KDM1A | O60341 | 5/20 | 0.55 |
| ▸ | ADH1B | P00325 | 1/20 | 0.43 |
| ▸ | ADH1C | P00326 | 1/20 | 0.43 |
| ▸ | ADH1A | P07327 | 1/20 | 0.43 |
| ▸ | ADH7 | P40394 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10045106 | 1.00 | TSHR (0.88) | TSHRCYP2C19MEN1GLAKMT2A | |
| SCHEMBL10045115 | 0.97 | CYP2C19 (0.82) | TSHRCYP2C19MEN1GLAKMT2A | |
| SCHEMBL5319718 | 0.97 | CYP2C19 (0.82) | TSHRCYP2C19MEN1GLAKMT2A | |
| SCHEMBL7204979 | 0.97 | CYP2C19 (0.82) | TSHRCYP2C19MEN1GLAKMT2A | |
| SCHEMBL11106382 | 0.97 | TSHR (0.93) | TSHRCYP2C19MEN1GLAKMT2A | |
| SCHEMBL29589467 | 0.94 | TSHR (0.88) | TSHRCYP2C19MEN1GLAKMT2A | |
| SCHEMBL4166725 | 0.94 | TSHR (0.88) | TSHRCYP2C19MEN1GLAKMT2A | |
| SCHEMBL5847137 | 0.94 | TSHR (0.88) | TSHRCYP2C19MEN1GLAKMT2A | |
| SCHEMBL13895399 | 0.94 | TSHR (0.88) | TSHRCYP2C19MEN1GLAKMT2A | |
| SCHEMBL10312397 | 0.94 | TSHR (0.88) | TSHRCYP2C19MEN1GLAKMT2A |
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-3473247-A1 | COMPOSITION FOR ORAL DELIVERY COMPRISING MGBG FOR USE IN TREATING MULTIPLE SCLEROSIS | Pathologica LLC (US) | 2019-04-24 | — | — | EP | disclosed |