Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.36 |
| ▸ | PDE5A | O76074 | 3/20 | 0.36 |
| ▸ | PDE4A | P27815 | 3/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.36 |
| ▸ | PDE1A | P54750 | 4/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 4/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 4/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL19301650 | 0.82 | NOTUM (0.46) | NOTUMPDE1APDE1BPDE1CGRIA2 | |
| SCHEMBL23565945 | 0.79 | CYP1B1 (0.37) | NOTUMCYP1B1PDE4DPDE5APDE4A | |
| SCHEMBL19301719 | 0.78 | NOTUM (0.41) | NOTUMGRIA2GRIN2AMEN1ALDH1A1 | |
| SCHEMBL4387426 | 0.72 | NOTUM (0.48) | NOTUMPDE1APDE1BPDE1CGRIA2 | |
| SCHEMBL19301649 | 0.71 | GRIA2 (0.43) | NOTUMGRIA2GRIN2AMEN1ALDH1A1 | |
| SCHEMBL30866454 | 0.67 | CNR2 (0.40) | NOTUMPDE1APDE1BPDE1CMEN1 | |
| SCHEMBL4637505 | 0.67 | TDP1 (0.42) | NOTUMKCNH2CNR2 | |
| SCHEMBL13270567 | 0.67 | HRH3 (0.41) | MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL19301847 | 0.67 | SIGMAR1 (0.39) | NOTUMGRIA2GRIN2AGRM2 | |
| SCHEMBL19301643 | 0.66 | NOTUM (0.44) | NOTUMGRIA2GRIN2AMEN1CYP3A4 |
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-2017147102-A1 | HETEROARYL INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-08-31 | — | — | WO | disclosed |