Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7769013 | 0.85 | CA12 (0.55) | CA12CA1CA2TYRCA7 | |
| SCHEMBL3692639 | 0.83 | THRB (0.60) | THRBATMHCAR2CA12AKR1B10 | |
| SCHEMBL157926 | 0.83 | THRB (0.60) | THRBATMHCAR2CA12AKR1B10 | |
| SCHEMBL11546773 | 0.81 | CYP1A2 (0.57) | THRBATMKDM4EMAPK1ALDH1A1 | |
| SCHEMBL11686354 | 0.80 | THRB (0.65) | THRBATMHCAR2CA12AKR1B10 | |
| SCHEMBL8086432 | 0.79 | THRB (0.55) | THRBATMKDM4EMAPK1FFAR1 | |
| SCHEMBL8084861 | 0.79 | THRB (0.55) | THRBATMHCAR2CA12AKR1B10 | |
| SCHEMBL8086431 | 0.79 | THRB (0.55) | THRBATMKDM4EMAPK1FFAR1 | |
| SCHEMBL31351342 | 0.79 | SRD5A2 (0.58) | THRBATMSRD5A2KDM4EMAPK1 | |
| SCHEMBL7450494 | 0.79 | HIF1A (0.53) | THRBATMKDM4EMAPK1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0741128-B1 | Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls | HOFFMANN LA ROCHE (CH) | 2001-06-20 | — | — | EP | disclosed |
| EP-0741128-A2 | Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls | F. HOFFMANN-LA ROCHE AG (CH) | 1996-11-06 | — | — | EP | disclosed |