Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | INPP5D | Q92835 | 1/20 | 0.67 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.55 |
| ▸ | CDC25A | P30304 | 4/20 | 0.54 |
| ▸ | POLA1 | P09884 | 1/20 | 0.53 |
| ▸ | NPC1L1 | Q9UHC9 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | FNTA | P49354 | 2/20 | 0.50 |
| ▸ | FNTB | P49356 | 2/20 | 0.50 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | EFNA1 | P20827 | 1/20 | 0.50 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.50 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.50 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.50 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.50 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.50 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6847205 | 1.00 | CYP2D6 (0.68) | CYP2D6CYP2C19INPP5DSRD5A1SRD5A2 | |
| SCHEMBL29011064 | 0.88 | CYP2D6 (0.63) | CYP2D6CYP2C19INPP5DSRD5A1SRD5A2 | |
| SCHEMBL28408 | 0.87 | CYP2D6 (0.65) | CYP2D6CYP2C19INPP5DSRD5A1SRD5A2 | |
| SCHEMBL3447573 | 0.87 | CYP2D6 (0.65) | CYP2D6CYP2C19INPP5DSRD5A1SRD5A2 | |
| SCHEMBL28788280 | 0.87 | CYP2D6 (0.62) | CYP2D6CYP2C19INPP5DSRD5A1SRD5A2 | |
| SCHEMBL133952 | 0.87 | CYP2D6 (0.65) | CYP2D6CYP2C19INPP5DSRD5A1SRD5A2 | |
| SCHEMBL9224303 | 0.87 | CYP2D6 (0.65) | CYP2D6CYP2C19INPP5DSRD5A1SRD5A2 | |
| Water SCHEMBL4949873 | 0.86 | CYP2D6 (0.64) | CYP2D6CYP2C19INPP5DSRD5A1SRD5A2 | |
| SCHEMBL28358894 | 0.86 | CYP2D6 (0.61) | CYP2D6CYP2C19INPP5DSRD5A1SRD5A2 | |
| SCHEMBL16226626 | 0.86 | NPC1L1 (0.64) | CYP2D6CYP2C19INPP5DSRD5A1SRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011019942-A2 | SYNTHETIC CHOLESTERYLAMINE-LINKER DERIVATIVES FOR AGENT DELIVERY INTO CELLS | UNIVERSITY OF KANSAS (US) | 2011-02-17 | — | — | WO | disclosed |
| WO-2010022051-A2 | DISRUPTORS OF EARLY/RECYCLING ENDOSOMES | UNIVERSITY OF KANSAS (US) | 2010-02-25 | — | — | WO | disclosed |