Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3947297 | 0.87 | ESR1 (0.42) | ESR1ESR2CYP1A2NR1H2NR1H3 | |
| SCHEMBL12191034 | 0.80 | ESR1 (0.38) | ESR1ESR2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL12477035 | 0.80 | ESR1 (0.38) | ESR1ESR2CYP1A2NR1H2NR1H3 | |
| SCHEMBL8135936 | 0.78 | ESR1 (0.37) | ESR1ESR2NR1H2NR1H3 | |
| SCHEMBL22449371 | 0.78 | ESR1 (0.37) | ESR1ESR2NR1H2NR1H3MAPT | |
| SCHEMBL17536636 | 0.76 | APP (0.48) | ESR1ESR2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL17552578 | 0.75 | NPC1 (0.35) | CYP1A2 | |
| SCHEMBL3956326 | 0.75 | ESR1 (0.34) | ESR1ESR2NR1H2NR1H3 | |
| SCHEMBL17552569 | 0.75 | ESR1 (0.34) | ESR1ESR2CYP1A2MAPT | |
| SCHEMBL27795201 | 0.74 | ALDH1A1 (0.39) | CYP1A2MAPTTSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016036685-A1 | BASE-CATALYZED SILYLATION OF TERMINIAL ALKYNE C-H BONDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-03-10 | — | — | WO | disclosed |
| US-20140157452-A1 | Plants with Useful Traits and Related Methods | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 2014-06-05 | — | — | US | disclosed |
| US-5162562-A | Preparation of metallated and substituted alkynes | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1992-11-10 | — | — | US | disclosed |
| US-5062998-A | Preparation of metallated and substituted alkynes | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1991-11-05 | — | — | US | disclosed |
| EP-0245516-A1 | POLYMER MEMBRANE FOR SEPARATING LIQUID MIXTURE | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1987-11-19 | — | — | EP | disclosed |