Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | LPL | P06858 | 4/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 4/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.31 |
| ▸ | ALPL | P05186 | 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 | |
|---|---|---|---|---|
| SCHEMBL8385483 | 0.77 | NNMT (0.42) | GSK3AGSK3BPDGFRBKDRAAK1 | |
| SCHEMBL393621 | 0.75 | GSK3A (0.48) | GSK3AGSK3BPDGFRBKDRAAK1 | |
| SCHEMBL14704636 | 0.74 | CRBN (0.43) | GSK3AGSK3BPDGFRBKDR | |
| SCHEMBL16196134 | 0.74 | NNMT (0.45) | GSK3AGSK3BPDGFRBKDRAAK1 | |
| SCHEMBL29980683 | 0.74 | CRBN (0.43) | GSK3AGSK3BPDGFRBKDR | |
| SCHEMBL21382264 | 0.73 | GSK3A (0.36) | GSK3AGSK3BPDGFRBKDRAAK1 | |
| SCHEMBL31221699 | 0.71 | GSK3A (0.37) | GSK3AGSK3BPDGFRBKDRAAK1 | |
| SCHEMBL24485530 | 0.70 | P2RX7 (0.37) | GSK3AGSK3BPDGFRBKDRAAK1 | |
| SCHEMBL16418567 | 0.70 | GSK3A (0.34) | GSK3AGSK3BPDGFRBKDRAAK1 | |
| SCHEMBL29694373 | 0.70 | GSK3A (0.37) | GSK3AGSK3BPDGFRBKDRAAK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3070077-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2016-09-21 | — | — | EP | disclosed |
| EP-2485731-B1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | MILLENNIUM PHARM INC (US) | 2016-05-11 | — | — | EP | disclosed |