Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.31 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL29544884 | 1.00 | PDE4D (0.31) | PDE4DLRRK2CNR2 | |
| SCHEMBL1806383 | 0.80 | PPM1D (0.31) | — | |
| SCHEMBL1806380 | 0.80 | PPM1D (0.31) | — | |
| SCHEMBL937834 | 0.78 | LRRK2 (0.33) | LRRK2CNR2 | |
| SCHEMBL12945704 | 0.78 | LRRK2 (0.33) | LRRK2CNR2 | |
| SCHEMBL29599566 | 0.77 | PPM1D (0.33) | — | |
| SCHEMBL16516673 | 0.77 | PPM1D (0.33) | — | |
| SCHEMBL1550501 | 0.76 | RIPK1 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL29183356 | 0.75 | PPM1D (0.33) | — | |
| SCHEMBL32684161 | 0.73 | — | — |
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-2017165170-A1 | ELECTRON WITHDRAWING GROUP SUBSTITUTED AND MACROCYCLIC PGJ3 ANALOGS AND METHODS OF TREATMENT THEREOF | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-09-28 | — | — | WO | disclosed |