Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | LPAR2 | Q9HBW0 | 5/20 | 0.38 |
| ▸ | LPAR3 | Q9UBY5 | 5/20 | 0.38 |
| ▸ | ESR1 | P03372 | 5/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SCN1A | P35498 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.31 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21981138 | 0.84 | MEN1 (0.35) | MEN1POLBKMT2A | |
| SCHEMBL4564740 | 0.74 | — | — | |
| SCHEMBL22733778 | 0.71 | LPAR3 (0.48) | LPAR2LPAR3MEN1POLBKMT2A | |
| SCHEMBL20394653 | 0.70 | MEN1 (0.50) | CYP3A4ESR1ESR2MEN1POLB | |
| SCHEMBL3727014 | 0.69 | MEN1 (0.48) | MEN1POLBKMT2ASCN1ASCN2A | |
| SCHEMBL16482959 | 0.69 | KMT2A (0.39) | CYP3A4MEN1POLBKMT2ACYP1A2 | |
| Ammonia Solution, Strong SCHEMBL28832288 | 0.69 | MEN1 (0.48) | CYP3A4ESR1ESR2MEN1POLB | |
| SCHEMBL21362842 | 0.68 | CYP3A4 (0.42) | CYP3A4LPAR2LPAR3LPAR1TSHR | |
| SCHEMBL1075367 | 0.68 | CA12 (0.38) | TSHR | |
| SCHEMBL27697035 | 0.67 | CYP3A4 (0.77) | CYP3A4LPAR2LPAR3LPAR1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-9017982-B1 | Non-wild-type organophosphorus acid anhydrolases for enzymatic decontamination | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2015-04-28 | — | — | US | disclosed |