Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 6/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 7/20 | 0.42 |
| ▸ | FAAH | O00519 | 5/20 | 0.42 |
| ▸ | PLA2G6 | O60733 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9087400 | 1.00 | EPHX1 (0.53) | EPHX1CES2TP53GMNNPOLB | |
| SCHEMBL10624436 | 1.00 | EPHX1 (0.53) | EPHX1CES2TP53GMNNPOLB | |
| SCHEMBL14763656 | 1.00 | EPHX1 (0.53) | EPHX1CES2TP53GMNNPOLB | |
| SCHEMBL28671 | 0.98 | — | — | |
| SCHEMBL1170625 | 0.90 | — | — | |
| SCHEMBL15136366 | 0.88 | — | — | |
| SCHEMBL14605067 | 0.88 | — | — | |
| SCHEMBL8938892 | 0.87 | TDP1 (0.37) | EPHX1CES2TP53GMNNPOLB | |
| SCHEMBL2745916 | 0.84 | TDP1 (0.39) | EPHX1TP53GMNNPOLBCYP2C9 | |
| SCHEMBL11663785 | 0.80 | EPHX1 (0.44) | EPHX1CES2TP53GMNNPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004080938-A1 | SYNTHESIS OF S-ALKYL AND S-ARYL THIOCARBAMATES, ONE-POT TWO-STEP GENERAL SYNTHESIS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2004-09-23 | — | — | WO | disclosed |
| US-6686494-B1 | PRECURSOR THIOL REAGENT IS FIRST REACTED WITH TRICHLOROACETYL CHLORIDE TO PRODUCE S-ALKYL OR S-ARYL TRICHLOROACETYL THIOESTER INTERMEDIATE, WHICH IS REACTED WITH AN AMINE TO YIELD THIOCARBAMATE PRODUCT | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY | 2004-02-03 | — | — | US | disclosed |
| EP-0329730-A1 | ENCAPSULATION BY ENTRAPMENT WITHIN STARCH MATRIX | DOANE, William McKee (US) | 1989-08-30 | — | — | EP | disclosed |