Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 4/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL11850804 | 0.84 | THRB (0.48) | THRBTGM2TP53ALDH1A1MAPT | |
| SCHEMBL2604617 | 0.82 | THRB (0.44) | THRBCYP4F2CYP4A11TP53MAPT | |
| SCHEMBL10181369 | 0.81 | CES2 (0.41) | THRBCYP4F2CYP4A11CES2CES1 | |
| SCHEMBL1098081 | 0.81 | THRB (0.41) | THRBCYP4F2CYP4A11TP53ALDH1A1 | |
| SCHEMBL30543222 | 0.80 | ESR1 (0.49) | THRBCES2CES1ALDH1A1MEN1 | |
| SCHEMBL5634217 | 0.80 | ESR1 (0.49) | THRBCES2CES1ALDH1A1MEN1 | |
| SCHEMBL27495352 | 0.80 | CYP4F2 (0.43) | CYP4F2CYP4A11CES2CES1TP53 | |
| SCHEMBL10179885 | 0.79 | ERN1 (0.38) | THRBCES2CES1TGM2MAPK1 | |
| SCHEMBL2604634 | 0.79 | HSD17B1 (0.39) | THRBMAPTCYP3A4MEN1KMT2A | |
| SCHEMBL2975869 | 0.78 | THRB (0.55) | THRBCES2CES1TGM2ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2400844-A1 | STEREOSELECTIVE HYDROGENATION OF A KETONE | Glaxo Group Limited (GB) | 2012-01-04 | — | — | EP | claimed |
| WO-2010099098-A1 | STEREOSELECTIVE HYDROGENATION OF A KETONE | GLAXO GROUP LIMITED (GB) | 2010-09-02 | — | — | WO | claimed |
| CN-112679495-B | Estrogen receptor modulators | 里科瑞尔姆IP控股有限责任公司 | 2023-03-28 | — | — | CN | disclosed |
| CN-104112870-A | Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same | MITSUBISHI CHEM CORP | 2014-10-22 | — | — | CN | disclosed |
| US-20130244122-A1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME | ONUKI MASAMICHI (JP) | 2013-09-19 | — | — | US | disclosed |
| US-20120219866-A1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2012-08-30 | — | — | US | disclosed |
| EP-2475041-A1 | NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME | Mitsubishi Chemical Corporation (JP) | 2012-07-11 | — | — | EP | disclosed |
| CN-102484281-A | Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same | MITSUBISHI CHEM CORP | 2012-05-30 | — | — | CN | disclosed |