Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19818 | 0.87 | PDE10A (0.41) | GSK3B | |
| SCHEMBL20634 | 0.86 | KDM4E (0.32) | HSD17B10KDM4E | |
| SCHEMBL15007172 | 0.86 | KDM4E (0.32) | HSD17B10KDM4E | |
| SCHEMBL15026297 | 0.86 | KDM4E (0.32) | HSD17B10KDM4E | |
| SCHEMBL47762 | 0.83 | CHEK1 (0.38) | — | |
| SCHEMBL16104577 | 0.80 | HSD17B10 (0.38) | HSD17B10KDM4EGSK3BALDH1A1TSHR | |
| SCHEMBL15031506 | 0.77 | — | — | |
| SCHEMBL15007526 | 0.75 | KDM4E (0.31) | HSD17B10KDM4EALDH1A1TSHRGAA | |
| SCHEMBL15007525 | 0.75 | KDM4E (0.31) | HSD17B10KDM4EALDH1A1TSHRGAA | |
| SCHEMBL21222 | 0.74 | CRHR1 (0.31) | — |
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-2608668-B1 | FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN | MERCK SHARP & DOHME (US) | 2016-06-01 | — | — | EP | disclosed |
| WO-2012027234-A1 | FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | disclosed |