Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 6/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 3/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 7/20 | 0.39 |
| ▸ | FAAH | O00519 | 4/20 | 0.39 |
| ▸ | PLA2G6 | O60733 | 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 | |
|---|---|---|---|---|
| SCHEMBL38665236 | 1.00 | CES2 (0.44) | CES2GMNNTP53POLBMAPT | |
| SCHEMBL10965231 | 0.84 | TSHR (0.35) | TSHRMAPK1FAAHALDH1A1TDP1 | |
| SCHEMBL10964589 | 0.84 | TSHR (0.35) | TSHRMAPK1FAAHALDH1A1TDP1 | |
| SCHEMBL10963844 | 0.83 | TSHR (0.38) | HSD17B10TSHRMAPK1MGLLCA12 | |
| SCHEMBL9420118 | 0.82 | ALDH1A1 (0.49) | GMNNTP53MAPTCYP2C9HSD17B10 | |
| SCHEMBL24470878 | 0.82 | TSHR (0.46) | GMNNTP53MAPTCYP2C9HSD17B10 | |
| SCHEMBL10964523 | 0.82 | TSHR (0.36) | HSD17B10TSHRMAPK1MGLLCA12 | |
| SCHEMBL15471407 | 0.81 | CHRNB2 (0.47) | CES2GMNNTP53POLBMAPT | |
| SCHEMBL7536149 | 0.78 | CHRNB2 (0.48) | CES2GMNNTP53POLBMAPT | |
| Pebulate SCHEMBL63581 | 0.78 | CA12 (0.52) | MAPTTSHRMAPK1MGLLCA12 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |