Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FASN | P49327 | 2/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | MELK | Q14680 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18924350 | 0.88 | FASN (0.44) | FASNPTGS2ABL1HPGDTSHR | |
| SCHEMBL18924475 | 0.85 | FASN (0.47) | FASNPTGS2ABL1GSK3AGSK3B | |
| SCHEMBL18924461 | 0.82 | MAPK14 (0.47) | FASNPDK2GHSRMAPK14NPC1 | |
| SCHEMBL16323896 | 0.81 | FASN (0.63) | FASN | |
| SCHEMBL19391086 | 0.81 | ABL1 (0.48) | FASNPTGS2ABL1GSK3AGSK3B | |
| SCHEMBL18924349 | 0.80 | ABL1 (0.47) | FASNPTGS2ABL1GSK3AGSK3B | |
| SCHEMBL10762514 | 0.78 | RAB9A (0.52) | EPHX1NPC1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19391081 | 0.78 | ABL1 (0.45) | FASNPTGS2ABL1HPGDGSK3A | |
| SCHEMBL20897035 | 0.77 | RAB9A (0.54) | HPGDTSHREPHX1NPC1SLC6A2 | |
| SCHEMBL18924538 | 0.77 | FASN (0.50) | FASNPTGS2ABL1HPGDGSK3A |
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 |
|---|---|---|---|---|---|---|---|
| US-9670142-B2 | 1,3-diaminocyclopentane carboxamide derivatives | MERCK PATENT GMBH (DE) | 2017-06-06 | — | — | US | disclosed |