Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL27642484 | 1.00 | CYP3A4 (0.45) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| Carbimide SCHEMBL17798183 | 0.96 | CYP3A4 (0.45) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL15544 | 0.94 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL18701450 | 0.94 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL29404189 | 0.94 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL28153871 | 0.92 | CYP3A4 (0.42) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL1396494 | 0.92 | CYP3A4 (0.48) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| Formaldehyde SCHEMBL8766988 | 0.90 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| Toluene SCHEMBL6911806 | 0.90 | CYP3A4 (0.46) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL16628654 | 0.88 | CYP3A4 (0.45) | CYP3A4GABRA1GABRB2TSHRTRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110038780-A | Corrosion-proof coating method | 关西涂料株式会社 | 2019-07-23 | — | — | CN | disclosed |
| CN-109971302-A | The excellent water-based paint compositions of anticorrosive property | 关西涂料株式会社 | 2019-07-05 | — | — | CN | disclosed |
| US-7759424-B2 | Radiation curable modified, unsaturated, amorphous polyesters | EVONIK DEGUSSA GMBH (DE) | 2010-07-20 | — | — | US | disclosed |
| US-20090035595-A1 | RADIATION CURABLE MODIFIED, UNSATURATED, AMORPHOUS POLYESTERS | DEGUSSA GMBH (DE) | 2009-02-05 | — | — | US | disclosed |
| US-4487713-A | HEAT TREATMENT WITH TITANIUM, TIN, ANTIMONY OR ZIRCONIUM COMPOUND | EXXON RESEARCH & ENGINEERING CO. (US) | 1984-12-11 | — | — | US | disclosed |