Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 5/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 2/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | XIAP | P98170 | 2/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | CASP2 | P42575 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19953575 | 0.89 | ACE (0.41) | F11ACEKLKB1XIAPCASP3 | |
| SCHEMBL19953576 | 0.89 | ACE (0.41) | F11ACEKLKB1XIAPCASP3 | |
| SCHEMBL19953578 | 0.89 | ACE (0.41) | F11ACEKLKB1XIAPCASP3 | |
| SCHEMBL19960811 | 0.85 | GHSR (0.45) | XIAP | |
| SCHEMBL19953493 | 0.84 | F11 (0.53) | F11ALDH1A1NPSR1ACEKLKB1 | |
| SCHEMBL19960718 | 0.83 | ACE (0.46) | F11ACEXIAPCASP3CASP2 | |
| SCHEMBL19960651 | 0.82 | F11 (0.45) | F11HSD11B1ALDH1A1NPSR1XIAP | |
| SCHEMBL19960692 | 0.81 | ACE (0.44) | F11NPSR1ACECASP3CASP2 | |
| SCHEMBL19953782 | 0.80 | F11 (0.55) | F11ALDH1A1NPSR1ACEKLKB1 | |
| SCHEMBL19953516 | 0.79 | F11 (0.53) | F11HSD11B1ALDH1A1NPSR1ACE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018047983-A1 | INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-15 | — | — | WO | disclosed |