Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 4/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29624259 | 0.86 | CES2 (0.47) | CES2CES1KIF11EPHX2HTR3E | |
| SCHEMBL21399416 | 0.83 | CES2 (0.48) | CES2CES1KIF11EPHX2HTR3E | |
| SCHEMBL29727867 | 0.83 | CYP3A4 (0.50) | EPHX2 | |
| SCHEMBL28809584 | 0.80 | CES2 (0.45) | CES2CES1KIF11EPHX2HTR3E | |
| SCHEMBL525760 | 0.80 | CES2 (0.45) | CES2CES1KIF11EPHX2HTR3E | |
| SCHEMBL8405808 | 0.80 | KIF11 (0.44) | CES2CES1KIF11EPHX2HTR3E | |
| SCHEMBL11022026 | 0.79 | CASP1 (0.40) | CES2CES1KIF11EPHX2KMT2A | |
| SCHEMBL2717803 | 0.79 | ALDH1A1 (0.46) | KIF11EPHX2KMT2ASRD5A2CYP1A2 | |
| SCHEMBL16345980 | 0.79 | CES2 (0.48) | CES2 | |
| SCHEMBL31188158 | 0.78 | TACR1 (0.49) | CES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20150056160-A1 | CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA | TEXAS PHARMACEUTICALS, INC. | 2015-02-26 | — | — | US | claimed |
| EP-1098641-B1 | CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA | ST JUDE PHARMACEUTICALS INC (US) | 2016-04-27 | — | — | EP | disclosed |
| US-20150056160-A1 | CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA | TEXAS PHARMACEUTICALS, INC. | 2015-02-26 | — | — | US | disclosed |
| US-20100056643-A1 | CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA | ST. JUDE PHARMACEUTICALS, INC. | 2010-03-04 | — | — | US | disclosed |
| US-7635722-B1 | Chemical induced intracellular hyperthermia | Saint Jude Pharmaceuticals, Inc. (US) | 2009-12-22 | — | — | US | disclosed |