Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.61 |
| ▸ | FYN | P06241 | 1/20 | 0.59 |
| ▸ | PDE4A | P27815 | 2/20 | 0.57 |
| ▸ | TERT | O14746 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ELANE | P08246 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6827893 | 0.81 | PDE4A (0.57) | CYP1B1FYNPDE4ATERTALDH1A1 | |
| SCHEMBL6829505 | 0.81 | EGFR (0.62) | CYP1B1ALDH1A1MAPK1KDM4EHSD17B10 | |
| SCHEMBL6827686 | 0.79 | ALDH1A1 (0.57) | CYP1B1FYNPDE4ATERTALDH1A1 | |
| SCHEMBL3125629 | 0.78 | PDE4A (0.72) | CYP1B1FYNPDE4ATERTALDH1A1 | |
| SCHEMBL2485835 | 0.77 | CYP1B1 (0.83) | CYP1B1FYNALDH1A1MAPK1KDM4E | |
| SCHEMBL6827354 | 0.77 | CYP3A4 (0.60) | CYP1B1ALDH1A1MAPK1KDM4EHSD17B10 | |
| SCHEMBL30365934 | 0.76 | CYP1B1 (1.00) | CYP1B1FYNALDH1A1MAPK1KDM4E | |
| SCHEMBL2483636 | 0.76 | CYP1B1 (1.00) | CYP1B1FYNALDH1A1MAPK1KDM4E | |
| SCHEMBL29883103 | 0.76 | CYP1B1 (1.00) | CYP1B1FYNALDH1A1MAPK1KDM4E | |
| SCHEMBL6827384 | 0.76 | ALDH1A1 (0.60) | CYP1B1ALDH1A1KDM4EHSD17B10SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6384045-B1 | TREATMENT OF ALZHEIMER'S DISEASE AND ANTICANCER AGENTS | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION | 2002-05-07 | — | — | US | disclosed |
| US-5958970-A | ENZYME INHIBITORS OF ACETYLCHOLINESTERASE (ACHE) AND ACYL-COA:CHOLESTEROL ACYLTRANSFERASE (ACAT); USED IN THE TREATMENT OF ALZHEIMER'S DISEASE, ATHEROSCLEROSIS AND HYPERCHOLESTEROLEMIA | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1999-09-28 | — | — | US | disclosed |