Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 7/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.37 |
| ▸ | CHRNG | P07510 | 1/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CHRND | Q07001 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | CCR2 | P41597 | 3/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6971603 | 0.84 | CHRNA1 (0.40) | SLC6A2SLC6A4SLC6A3CHRNA1CHRNG | |
| SCHEMBL6967893 | 0.84 | CNR1 (0.40) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL6981777 | 0.83 | AKR1C1 (0.41) | CYP2C9MEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL6979503 | 0.82 | OPRM1 (0.48) | SLC6A2SLC6A4SLC6A3MAPT | |
| SCHEMBL377756 | 0.79 | MAPK1 (0.40) | SLC6A2SLC6A4SLC6A3CHRNA1CHRNG | |
| SCHEMBL6982594 | 0.78 | HSD11B1 (0.39) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL6978477 | 0.78 | LMNA (0.39) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL6984599 | 0.76 | RXRA (0.53) | NPC1RAB9ACYP3A4CYP2C19KDM4E | |
| SCHEMBL6981080 | 0.74 | THRB (0.44) | NPC1RAB9AAPPALDH1A1TSHR | |
| SCHEMBL6971207 | 0.74 | OPRM1 (0.44) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1098893-B1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GMBH (DE) | 2003-03-26 | — | — | EP | disclosed |