Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 4/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.41 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 4/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | PRCP | P42785 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19960716 | 0.83 | ACE (0.46) | ACEHDAC8HDAC3NCOR2HDAC1 | |
| SCHEMBL19960630 | 0.81 | OPRM1 (0.43) | ACEHDAC8HDAC1HDAC2OPRM1 | |
| SCHEMBL19953503 | 0.81 | OPRM1 (0.43) | ACEHDAC8HDAC1HDAC2OPRM1 | |
| SCHEMBL11472266 | 0.80 | GRIN1 (0.50) | ACEHDAC8HDAC3NCOR2HDAC1 | |
| SCHEMBL2848460 | 0.72 | GRM2 (0.37) | ACEHDAC8MTNR1B | |
| SCHEMBL19960809 | 0.72 | PRMT5 (0.42) | ACEHDAC8F2RL1HDAC3NCOR2 | |
| SCHEMBL19960631 | 0.70 | OPRM1 (0.38) | ACEOPRM1MTNR1B | |
| SCHEMBL16303966 | 0.69 | ACE (0.50) | ACEMTNR1BALDH1A1 | |
| SCHEMBL19960681 | 0.69 | F11 (0.55) | ACEF2RL1MTNR1BALDH1A1 | |
| SCHEMBL8293673 | 0.69 | DPP4 (0.54) | — |
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 |