Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 6/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6913900 | 1.00 | NR5A1 (0.50) | NR5A1ESR1LMNACYP1A2CYP2D6 | |
| SCHEMBL28133278 | 0.98 | LMNA (0.47) | NR5A1ESR1LMNACYP1A2CYP2D6 | |
| SCHEMBL22500350 | 0.94 | ESR1 (0.49) | NR5A1ESR1LMNACYP1A2CYP2D6 | |
| SCHEMBL6931958 | 0.92 | LMNA (0.54) | NR5A1ESR1LMNACYP1A2CYP2D6 | |
| SCHEMBL15546907 | 0.88 | ELANE (0.46) | LMNAPRSS1PRSS2PRSS3CA1 | |
| SCHEMBL20138640 | 0.87 | ESR1 (0.44) | NR5A1ESR1LMNACYP1A2CYP2D6 | |
| SCHEMBL28129972 | 0.87 | GAA (0.50) | NR5A1PRSS1PRSS2PRSS3CA1 | |
| SCHEMBL22471847 | 0.87 | GAA (0.50) | NR5A1PRSS1PRSS2PRSS3CA1 | |
| SCHEMBL28063048 | 0.87 | PPARA (0.45) | LMNACYP1A2TSHRMAPK1PRSS1 | |
| SCHEMBL2294692 | 0.86 | PRSS1 (0.50) | LMNATSHRPRSS1PRSS2PRSS3 |
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 |