Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9177180 | 0.87 | CYP3A4 (0.41) | CYP3A4TSHRADRA2AADRA2BADRA2C | |
| SCHEMBL9185433 | 0.81 | GABRA1 (0.37) | CYP3A4TSHRTRPA1GABRA1GABRB2 | |
| SCHEMBL9181988 | 0.79 | CYP3A4 (0.46) | CYP3A4TSHRTRPA1GABRA1GABRB2 | |
| SCHEMBL21465722 | 0.79 | FFAR1 (0.48) | TSHRCYP1A2MAPK1TDP1 | |
| SCHEMBL1900349 | 0.77 | CYP3A4 (0.50) | CYP3A4TSHRADRA2AADRA2BADRA2C | |
| SCHEMBL9220151 | 0.76 | HDAC8 (0.41) | CYP3A4ADRA2AADRA2BADRA2CHDAC8 | |
| SCHEMBL3842072 | 0.75 | CYP2C9 (0.49) | CYP3A4TSHRTRPA1HDAC8GABRA1 | |
| SCHEMBL9221614 | 0.75 | HDAC8 (0.40) | ADRA2AADRA2BADRA2CHDAC8HDAC6 | |
| SCHEMBL16403698 | 0.75 | CYP3A4 (0.44) | CYP3A4TSHRTRPA1GABRA1GABRB2 | |
| SCHEMBL9185663 | 0.72 | CYP3A4 (0.46) | CYP3A4TSHRADRA2AADRA2BADRA2C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0398749-B1 | Polyisocyanatoalkylphenyl-isocyanurates, method for the preparation thereof and use thereof | MITSUI TOATSU CHEMICALS (JP) | 1995-07-26 | — | — | EP | disclosed |
| US-5124429-A | Polyurethane coatings and adhesives; discoloration inhibition; weatherproofing; heat resistance; vehicles | MITSUI TOATSU CHEMICALS, INC. (JP) | 1992-06-23 | — | — | US | disclosed |
| US-5091496-A | POLYISOCYANATOALKYLPHENYL-ISOCYANURATES, METHOD FOR THE PREPARATION THEREOF AND USE THEREOF | MITSUI TOATSU CHEMICALS, INC. (JP) | 1992-02-25 | — | — | US | disclosed |
| EP-0398749-A2 | Polyisocyanatoalkylphenyl-isocyanurates, method for the preparation thereof and use thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-11-22 | — | — | EP | disclosed |