Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5953780 | 0.77 | THRB (0.55) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL9067567 | 0.76 | THRB (0.41) | THRBTSHRALDH1A1SMPD1 | |
| SCHEMBL23864842 | 0.75 | THRB (0.53) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL16584126 | 0.75 | THRB (0.53) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL6988087 | 0.74 | TSHR (0.33) | TSHRALDH1A1SMPD1FDPS | |
| SCHEMBL6276269 | 0.74 | THRB (0.39) | THRBTSHRALDH1A1 | |
| Phosphoric Acid SCHEMBL836840 | 0.74 | THRB (0.63) | THRBTSHRALDH1A1POLBAPEX1 | |
| SCHEMBL11322538 | 0.74 | THRB (0.47) | THRBTSHRALDH1A1HDAC3HDAC4 | |
| SCHEMBL28048937 | 0.73 | TSHR (0.47) | THRBTSHRPOLBAPEX1HTT | |
| SCHEMBL10892037 | 0.73 | THRB (0.46) | THRBTSHRALDH1A1POLBAPEX1 |
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 |