Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | XIAP | P98170 | 6/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRCP | P42785 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19960713 | 0.83 | ACE (0.43) | ACEOPRM1HDAC8HDAC3HDAC1 | |
| SCHEMBL19953503 | 0.81 | OPRM1 (0.43) | ACEOPRM1HDAC8HDAC1HDAC2 | |
| SCHEMBL19960630 | 0.81 | OPRM1 (0.43) | ACEOPRM1HDAC8HDAC1HDAC2 | |
| SCHEMBL9744383 | 0.78 | HDAC8 (0.43) | ACEOPRM1HDAC8HDAC3HDAC1 | |
| SCHEMBL19960810 | 0.75 | PRMT5 (0.43) | ACEOPRM1HDAC8HDAC3HDAC1 | |
| SCHEMBL19960631 | 0.70 | OPRM1 (0.38) | ACEOPRM1XIAPMTNR1B | |
| SCHEMBL4239790 | 0.69 | PRCP (0.60) | ACEHDAC8HDAC3HDAC1HDAC2 | |
| SCHEMBL15100399 | 0.69 | PRCP (0.56) | ACEOPRM1HDAC8HDAC3HDAC1 | |
| SCHEMBL14879190 | 0.69 | PRCP (0.52) | ACEOPRM1HDAC8HDAC3HDAC1 | |
| SCHEMBL12507462 | 0.68 | PRCP (0.55) | ACEOPRM1HDAC8HDAC3HDAC1 |
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 |