Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 3/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.31 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
| ▸ | P2RY12 | Q9H244 | 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 | |
|---|---|---|---|---|
| SCHEMBL24326520 | 1.00 | PARP1 (0.33) | PARP1EPHX2THRBLRRK2PADI4 | |
| SCHEMBL29570892 | 0.87 | TGFBR1 (0.38) | HTT | |
| SCHEMBL29570573 | 0.87 | TGFBR1 (0.38) | HTT | |
| SCHEMBL29570779 | 0.87 | TGFBR1 (0.38) | HTT | |
| SCHEMBL24326241 | 0.87 | TGFBR1 (0.38) | HTT | |
| SCHEMBL24325793 | 0.87 | TGFBR1 (0.38) | HTT | |
| SCHEMBL24326155 | 0.87 | TGFBR1 (0.38) | HTT | |
| SCHEMBL24326388 | 0.87 | TGFBR1 (0.38) | HTT | |
| SCHEMBL29570927 | 0.87 | TGFBR1 (0.38) | HTT | |
| SCHEMBL24326262 | 0.87 | ROCK2 (0.34) | — |
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-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |