Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FASN | P49327 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | PTGES | O14684 | 3/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4565285 | 0.83 | FASN (0.41) | FASNALDH1A1KDM4EHSD17B10PTGES | |
| SCHEMBL4071073 | 0.82 | PTGES (0.43) | FASNALDH1A1KDM4EHSD17B10PTGES | |
| SCHEMBL13907875 | 0.80 | ALDH1A1 (0.39) | FASNALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL4240777 | 0.71 | CYP2D6 (0.38) | NPC1SMN1; SMN2 | |
| SCHEMBL5027701 | 0.68 | ADORA1 (0.35) | KDM4EPOLB | |
| SCHEMBL15554717 | 0.66 | FASN (0.54) | FASNALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL15554667 | 0.64 | FASN (0.47) | FASNPTGES | |
| SCHEMBL13906625 | 0.63 | NPC1 (0.37) | ALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL3965280 | 0.63 | PARP1 (0.41) | PTGES | |
| SCHEMBL1285855 | 0.63 | PTGES (0.43) | FASNALDH1A1KDM4EHSD17B10PTGES |
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-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |