Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL28007960 | 0.94 | ALDH1A1 (0.38) | ALDH1A1TSHREPHX1NPSR1 | |
| SCHEMBL8407107 | 0.93 | ALDH1A1 (0.37) | ALDH1A1TSHREPHX1NPSR1 | |
| SCHEMBL21249349 | 0.82 | — | — | |
| SCHEMBL21249350 | 0.81 | EPHX1 (0.30) | EPHX1 | |
| SCHEMBL23494218 | 0.79 | TSHR (0.39) | ALDH1A1TSHREPHX1NPSR1CTSK | |
| SCHEMBL5680226 | 0.78 | TSHR (0.38) | ALDH1A1TSHREPHX1NPSR1CTSK | |
| SCHEMBL29117598 | 0.78 | TSHR (0.38) | ALDH1A1TSHREPHX1NPSR1CTSK | |
| SCHEMBL12791647 | 0.77 | ALDH1A1 (0.38) | ALDH1A1TSHREPHX1NPSR1 | |
| SCHEMBL28579912 | 0.75 | TSHR (0.36) | ALDH1A1TSHREPHX1NPSR1 | |
| SCHEMBL16866420 | 0.75 | EPHX1 (0.32) | ALDH1A1TSHREPHX1NPSR1 |
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 |