Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.52 |
| ▸ | CES2 | O00748 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.41 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.41 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6934489 | 1.00 | CES1 (0.52) | CES1CES2MEN1KMT2ATHRB | |
| SCHEMBL6936691 | 1.00 | CES1 (0.52) | CES1CES2MEN1KMT2ATHRB | |
| SCHEMBL6934665 | 1.00 | CES1 (0.52) | CES1CES2MEN1KMT2ATHRB | |
| SCHEMBL6937500 | 1.00 | CES1 (0.52) | CES1CES2MEN1KMT2ATHRB | |
| SCHEMBL22268706 | 1.00 | CES1 (0.52) | CES1CES2MEN1KMT2ATHRB | |
| SCHEMBL6937882 | 0.98 | CES2 (0.48) | CES1CES2MEN1KMT2ATHRB | |
| SCHEMBL6934199 | 0.95 | CES1 (0.52) | CES1CES2MEN1KMT2ATHRB | |
| SCHEMBL6939280 | 0.95 | CES1 (0.52) | CES1CES2MEN1KMT2ATHRB | |
| SCHEMBL6936659 | 0.95 | CES1 (0.52) | CES1CES2MEN1KMT2ATHRB | |
| SCHEMBL18484327 | 0.95 | CES2 (0.47) | CES1CES2MEN1KMT2ATHRB |
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 |