Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 6/20 | 0.33 |
| ▸ | CA2 | P00918 | 6/20 | 0.33 |
| ▸ | CA9 | Q16790 | 6/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LPAR3 | Q9UBY5 | 4/20 | 0.32 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.32 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1608819 | 0.79 | CES2 (0.43) | CES2CES1CA1CA2CA9 | |
| SCHEMBL2316053 | 0.77 | TSHR (0.35) | CES2CA1CA2CA9TSHR | |
| SCHEMBL29258947 | 0.77 | CES1 (0.47) | CES2CES1CA1CA2CA9 | |
| SCHEMBL10059143 | 0.77 | CES1 (0.47) | CES2CES1CA1CA2CA9 | |
| SCHEMBL13303172 | 0.77 | CES1 (0.47) | CES2CES1CA1CA2CA9 | |
| SCHEMBL17221054 | 0.77 | CES1 (0.47) | CES2CES1CA1CA2CA9 | |
| SCHEMBL8998253 | 0.77 | CES1 (0.47) | CES2CES1CA1CA2CA9 | |
| SCHEMBL17048683 | 0.77 | TSHR (0.35) | CES2CA1CA2CA9TSHR | |
| SCHEMBL13483251 | 0.75 | CES1 (0.45) | CES2CES1CA1CA2CA9 | |
| SCHEMBL14691718 | 0.75 | CES1 (0.45) | CES2CES1CA1CA2CA9 |
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-0962445-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS INC (JP) | 2003-02-26 | — | — | EP | disclosed |
| US-6217793-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS, INC. (JP) | 2001-04-17 | — | — | US | disclosed |
| EP-0962445-A1 | Acetylene compound, liquid crystal composition and liquid crystal element | Mitsui Chemicals, Inc. (JP) | 1999-12-08 | — | — | EP | disclosed |