Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | ESRRG | P62508 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL30606647 | 0.92 | CYP3A4 (0.41) | CD44CYP3A4TSHRPIK3CAESR1 | |
| SCHEMBL4409081 | 0.92 | CYP3A4 (0.41) | CD44CYP3A4TSHRPIK3CAESR1 | |
| SCHEMBL8512559 | 0.89 | CD44 (0.48) | CD44CYP3A4TSHRPIK3CAHPGD | |
| SCHEMBL2034203 | 0.82 | CYP3A4 (0.41) | CYP3A4TSHRPIK3CAESR1ESR2 | |
| SCHEMBL24549530 | 0.80 | ESR1 (0.45) | CYP3A4ESR1ESR2ALDH1A1MAPT | |
| SCHEMBL6028201 | 0.79 | CD44 (0.48) | CD44CYP3A4TSHRPIK3CAHPGD | |
| SCHEMBL10392513 | 0.77 | S1PR1 (0.39) | CYP3A4TSHRESR1ESR2HPGD | |
| SCHEMBL29919506 | 0.77 | CD44 (0.41) | CD44CYP3A4TSHRPIK3CAHPGD | |
| SCHEMBL3751989 | 0.76 | CYP3A4 (0.45) | CYP3A4ESR1ESR2ALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL3291595 | 0.74 | CYP3A4 (0.43) | CYP3A4ESR1ESR2ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8519040-B2 | Ionic organic compound, production method thereof, hydrogelling agent composed of the ionic organic compound, hydrogel containing same, methanol gelling agent, methanol gel containing same, and carbon nanotube dispersant | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2013-08-27 | — | — | US | disclosed |
| US-20110178218-A1 | IONIC ORGANIC COMPOUND, PRODUCTION METHOD THEREOF, HYDROGELLING AGENT COMPOSED OF THE IONIC ORGANIC COMPOUND, HYDROGEL CONTAINING SAME, METHANOL GELLING AGENT, METHANOL GEL CONTAINING SAME, AND CARBON NANOTUBE DISPERSANT | National Institute of Avanced Industrial Science and Technology (JP) | 2011-07-21 | — | — | US | disclosed |
| EP-2330143-A1 | IONIC ORGANIC COMPOUND, PRODUCTION METHOD THEREOF, HYDROGELLING AGENT COMPOSED OF THE IONIC ORGANIC COMPOUND, HYDROGEL CONTAINING SAME, METHANOL GELLING AGENT, METHANOL GEL CONTAINING SAME, AND CARBON NANOTUBE DISPERSANT | National Institute of Advanced Industrial Science And Technology (JP) | 2011-06-08 | — | — | EP | disclosed |