Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 4/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6646983 | 0.83 | CA2 (0.35) | ALDH1A1TRPA1TDP1 | |
| SCHEMBL2964849 | 0.77 | HSD11B1 (0.41) | HSD11B1NOTUMPDK2CYP2C19CYP3A4 | |
| SCHEMBL197671 | 0.74 | HSD11B1 (0.56) | HSD11B1NOTUMCYP2C19CYP3A4CYP2D6 | |
| SCHEMBL6649547 | 0.73 | HTR7 (0.35) | CYP3A4CYP2D6ALDH1A1HPGDCYP1A2 | |
| SCHEMBL6649333 | 0.73 | PTGS2 (0.36) | ALDH1A1HSD17B10MAPK1HPGDBACE1 | |
| Hydrochloric Acid SCHEMBL29010139 | 0.72 | HSD11B1 (0.54) | HSD11B1NOTUMCYP2C19CYP3A4CYP2D6 | |
| SCHEMBL8022901 | 0.72 | HSD11B1 (0.54) | HSD11B1NOTUMCYP2C19CYP3A4CYP2D6 | |
| SCHEMBL26190 | 0.72 | ALDH1A1 (0.37) | ALDH1A1HSD17B10MAPK1HPGDBACE1 | |
| SCHEMBL26148 | 0.71 | POLB (0.37) | CYP3A4ALDH1A1HSD17B10MAPK1HPGD | |
| SCHEMBL6537049 | 0.71 | ALDH1A1 (0.30) | ALDH1A1HSD17B10MAPK1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1421090-A2 | METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM | Exxonmobil Chemical Patents Inc. (US) | 2004-05-26 | — | — | EP | disclosed |
| WO-2003002583-A2 | METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2003-01-09 | — | — | WO | disclosed |