Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 5/20 | 0.43 |
| ▸ | FASN | P49327 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4565286 | 0.82 | FASN (0.37) | PTGESFASNNPC1ALDH1A1PDE10A | |
| SCHEMBL3965280 | 0.82 | PARP1 (0.41) | PTGESHCRTR1HCRTR2BRD4 | |
| SCHEMBL1285855 | 0.80 | PTGES (0.43) | PTGESFASNNPC1HCRTR1HCRTR2 | |
| SCHEMBL1285857 | 0.80 | PTGES (0.43) | PTGESFASNNPC1HCRTR1HCRTR2 | |
| SCHEMBL16789841 | 0.77 | PTGES (0.41) | PTGESFASNNPC1RAB9AHCRTR1 | |
| SCHEMBL13351195 | 0.77 | RPS6KA3 (0.43) | PTGESFASNNPC1ALDH1A1NFKB1 | |
| SCHEMBL1285833 | 0.77 | PTGES (0.40) | PTGESFASNRAB9AALDH1A1KDM4E | |
| SCHEMBL1285740 | 0.77 | PTGES (0.40) | PTGESFASNRAB9AALDH1A1KDM4E | |
| SCHEMBL1285741 | 0.77 | PTGES (0.40) | PTGESFASNRAB9AALDH1A1KDM4E | |
| SCHEMBL3962137 | 0.74 | DHODH (0.43) | RAB9AALDH1A1SMN1; SMN2HPGD |
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 |