Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | CEL | P19835 | 2/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 5/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 4/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL7545990 | 0.82 | CYP3A4 (0.38) | CYP3A4TSHRPIK3CATDO2HTR2C | |
| SCHEMBL13981269 | 0.82 | CYP3A4 (0.41) | CYP3A4TSHRPIK3CATDO2HTR2C | |
| SCHEMBL7748970 | 0.78 | TDO2 (0.37) | TDO2HTR2CCELFEN1ALOX5AP | |
| SCHEMBL534091 | 0.78 | HTR2C (0.47) | TDO2HTR2CCELFEN1ALOX5AP | |
| SCHEMBL13981315 | 0.77 | CYP3A4 (0.44) | CYP3A4TSHRPIK3CAHTR2CALDH1A1 | |
| SCHEMBL11567722 | 0.76 | TDO2 (0.42) | TDO2HTR2CCELNOS1FEN1 | |
| SCHEMBL9627751 | 0.76 | HTR2C (0.46) | TDO2HTR2CHTR1AHTR7CD44 | |
| SCHEMBL11421553 | 0.76 | TDP1 (0.46) | CYP3A4TSHRTDO2HTR2CNOS3 | |
| SCHEMBL533559 | 0.76 | HTR2C (0.46) | TDO2HTR2CCELFEN1CD44 | |
| SCHEMBL1498800 | 0.76 | TDO2 (0.39) | TDO2CELFEN1ALOX5AP |
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 |
|---|---|---|---|---|---|---|---|
| EP-0255930-B1 | POLYURETHANE FOAMS INCORPORATING ALKOXYLATED AROMATIC DIAMINE AND ACETYLENIC GLYCOL | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1991-12-11 | — | — | EP | disclosed |
| US-4743628-A | CROSSLINKING, HIGHER LOAD-BEARING, TEAR STRENGTH, ELONGATION | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1988-05-10 | — | — | US | disclosed |
| EP-0255930-A2 | Polyurethane foams incorporating alkoxylated aromatic diamine and acetylenic glycol | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1988-02-17 | — | — | EP | disclosed |