Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.67 |
| ▸ | THRB | P10828 | 1/20 | 0.67 |
| ▸ | CES2 | O00748 | 3/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL20838487 | 1.00 | TSHR (0.67) | TSHRTHRBCES2CES1EPHX2 | |
| Hexadecane SCHEMBL28658092 | 1.00 | TSHR (0.67) | TSHRTHRBCES2CES1EPHX2 | |
| Hexane SCHEMBL10567935 | 0.96 | — | — | |
| Hexane SCHEMBL8620321 | 0.92 | TSHR (0.54) | TSHRTHRBCES2CES1EPHX2 | |
| Hexadecane SCHEMBL11410358 | 0.89 | TSHR (0.53) | TSHRTHRBCES2CES1EPHX2 | |
| Pentane SCHEMBL10411542 | 0.87 | — | — | |
| Tridecane SCHEMBL25167740 | 0.85 | TSHR (0.57) | TSHRTHRBCES2CES1EPHX2 | |
| Tetradecane SCHEMBL25170575 | 0.85 | TSHR (0.57) | TSHRTHRBCES2CES1EPHX2 | |
| Tetradecane SCHEMBL8743025 | 0.85 | TSHR (0.57) | TSHRTHRBCES2CES1EPHX2 | |
| SCHEMBL25272132 | 0.85 | TSHR (0.57) | TSHRTHRBCES2CES1EPHX2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9852241-B2 | Highly accurate correlating method for phase equilibrium data, and phase equilibrium calculation method | TOKYO METROPOLITAN UNIVERSITY (JP) | 2017-12-26 | — | — | US | disclosed |
| US-20140288905-A1 | HIGHLY ACCURATE CORRELATING METHOD FOR PHASE EQUILIBRIUM DATA, AND PHASE EQUILIBRIUM CALCULATION METHOD | TOKYO METROPOLITAN PUBLIC UNIVERSITY CORPORATION (JP) | 2014-09-25 | — | — | US | disclosed |
| EP-2762218-A1 | HIGHLY ACCURATE CORRELATING METHOD FOR PHASE EQUILIBRIUM DATA, AND PHASE EQUILIBRIUM CALCULATION METHOD | Tokyo Metropolitan University (JP) | 2014-08-06 | — | — | EP | disclosed |
| CN-103906553-A | Highly accurate correlating method for phase equilibrium data, and phase balance calculation method | UNIV TOKYO METROPOLITAN | 2014-07-02 | — | — | CN | disclosed |