Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.56 |
| ▸ | THRB | P10828 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25771180 | 0.92 | TSHR (0.56) | TSHRTHRBHTTPOLBAPEX1 | |
| SCHEMBL12200484 | 0.92 | TSHR (0.56) | TSHRTHRBHTTPOLBAPEX1 | |
| SCHEMBL2740452 | 0.92 | TSHR (0.56) | TSHRTHRBHTTPOLBAPEX1 | |
| SCHEMBL29944765 | 0.92 | TSHR (0.56) | TSHRTHRBHTTPOLBAPEX1 | |
| SCHEMBL11127572 | 0.92 | TSHR (0.56) | TSHRTHRBHTTPOLBAPEX1 | |
| SCHEMBL13105980 | 0.92 | TSHR (0.56) | TSHRTHRBHTTPOLBAPEX1 | |
| SCHEMBL4920104 | 0.92 | TSHR (0.60) | TSHRTHRBHTTPOLBAPEX1 | |
| SCHEMBL15480 | 0.92 | TSHR (0.64) | TSHRTHRBHTTPOLBAPEX1 | |
| Triethylene Glycol SCHEMBL9716051 | 0.91 | TSHR (0.61) | TSHRTHRBHTTPOLBAPEX1 | |
| 1,4-Butanediol SCHEMBL14911112 | 0.91 | THRB (0.61) | TSHRTHRBHTTPOLBAPEX1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0751161-B1 | Sulfur-containing urethane-based resin composition, optical element and lens comprising this resin | MITSUI CHEMICALS INC (JP) | 2003-01-02 | — | — | EP | disclosed |
| US-5736609-A | A POLYTHIO COMPOUND CONTAINING AT LEAST TWO MERCAPTO GROUPS, A POLYISO(THIO)CYANATE COMPOUND, AND A COMPOUND HAVING TWO OR MORE UNSATURATED REACTIVE GROUPS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1998-04-07 | — | — | US | disclosed |
| EP-0751161-A2 | Sulfur-containing urethane-based resin composition, optical element and lens comprising this resin | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1997-01-02 | — | — | EP | disclosed |