Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | LSS | P48449 | 2/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | SQLE | Q14534 | 3/20 | 0.41 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8619944 | 1.00 | ALDH1A1 (0.47) | ALDH1A1TRPV1TDP1LSSKEAP1 | |
| SCHEMBL8624953 | 0.90 | LSS (0.49) | ALDH1A1TRPV1TDP1LSSSQLE | |
| SCHEMBL8624956 | 0.90 | LSS (0.49) | ALDH1A1TRPV1TDP1LSSSQLE | |
| SCHEMBL29105881 | 0.85 | ALDH1A1 (0.53) | ALDH1A1TRPV1TDP1LSSKEAP1 | |
| SCHEMBL8626255 | 0.85 | TRPV1 (0.46) | ALDH1A1TRPV1LSSKEAP1SIGMAR1 | |
| SCHEMBL8626252 | 0.85 | TRPV1 (0.46) | ALDH1A1TRPV1LSSKEAP1SIGMAR1 | |
| SCHEMBL28415205 | 0.83 | TRPV1 (0.54) | ALDH1A1TRPV1TDP1LSSKEAP1 | |
| SCHEMBL21486330 | 0.82 | ALDH1A1 (0.53) | ALDH1A1TRPV1TDP1LSSKEAP1 | |
| SCHEMBL29572084 | 0.82 | ALDH1A1 (0.53) | ALDH1A1TRPV1TDP1LSSKEAP1 | |
| SCHEMBL26090626 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TRPV1TDP1LSSKEAP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5712396-A | PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS | MAGNIN DAVID R (US) | 1998-01-27 | — | — | US | disclosed |
| US-5567841-A | ANTICHOLESTEROL AGENT | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-10-22 | — | — | US | disclosed |
| US-5470845-A | Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-11-28 | — | — | US | disclosed |
| EP-0595635-A1 | Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors | E.R. Squibb & Sons, Inc. (US) | 1994-05-04 | — | — | EP | disclosed |