Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.61 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | MAOA | P21397 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.49 |
| ▸ | BCL2 | P10415 | 1/20 | 0.49 |
| ▸ | IL2 | P60568 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13464654 | 0.84 | ALDH2 (0.49) | GSK3BPIN1ALDH1A1CYP3A4MEN1 | |
| SCHEMBL1143870 | 0.82 | GSK3B (0.61) | GSK3BPIN1ALDH1A1CYP3A4MEN1 | |
| SCHEMBL28601511 | 0.78 | PIN1 (0.77) | GSK3BPIN1ALDH1A1CYP3A4MEN1 | |
| SCHEMBL11730519 | 0.78 | PIN1 (0.67) | GSK3BPIN1ALDH1A1CYP3A4MEN1 | |
| SCHEMBL7499018 | 0.76 | PIN1 (0.65) | GSK3BPIN1ALDH1A1CYP3A4MEN1 | |
| SCHEMBL3492965 | 0.76 | GSK3B (0.62) | GSK3BPIN1ALDH1A1CYP3A4MEN1 | |
| SCHEMBL28172130 | 0.76 | RAB9A (0.67) | GSK3BALDH1A1CYP3A4MEN1KMT2A | |
| SCHEMBL29640433 | 0.76 | RAB9A (0.67) | GSK3BALDH1A1CYP3A4MEN1KMT2A | |
| SCHEMBL3491720 | 0.74 | GSK3B (0.67) | GSK3BPIN1CYP3A4KMT2ACYP2D6 | |
| SCHEMBL3492050 | 0.73 | GSK3B (0.58) | GSK3BPIN1ALDH1A1CYP3A4MEN1 |
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-2260051-B1 | GLUCOPYRANOSIDE DERIVATIVES | MERCK PATENT GMBH (DE) | 2012-10-17 | — | — | EP | disclosed |
| WO-2009124638-A1 | GLUCOPYRANOSIDE DERIVATIVES | MERCK PATENT GMBH (DE) | 2009-10-15 | — | — | WO | disclosed |