Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CASP2 | P42575 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 3/20 | 0.34 |
| ▸ | GHSR | Q92847 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HHAT | Q5VTY9 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | F11 | P03951 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19960718 | 0.88 | ACE (0.46) | ACECASP3CASP2MTNR1BRORC | |
| SCHEMBL19953575 | 0.83 | ACE (0.41) | ACECASP3CASP2MTNR1BMMP1 | |
| SCHEMBL19953578 | 0.83 | ACE (0.41) | ACECASP3CASP2MTNR1BMMP1 | |
| SCHEMBL19953576 | 0.83 | ACE (0.41) | ACECASP3CASP2MTNR1BMMP1 | |
| SCHEMBL19960686 | 0.81 | F11 (0.48) | ACECASP3CASP2MTNR1BDRD1 | |
| SCHEMBL19960811 | 0.80 | GHSR (0.45) | GHSR | |
| SCHEMBL19953699 | 0.70 | ACE (0.46) | ACECASP3CASP2MTNR1BDRD1 | |
| SCHEMBL19960687 | 0.70 | GRM7 (0.55) | MEN1KMT2ARECQLGAANPSR1 | |
| SCHEMBL19960812 | 0.68 | TSHR (0.50) | NPSR1 | |
| SCHEMBL3612165 | 0.67 | ACE (0.50) | ACEGAAMTNR1BHHATKCNH2 |
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 |