Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | PLA2G4B | P0C869 | 7/20 | 0.62 |
| ▸ | RARB | P10826 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.50 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | F10 | P00742 | 1/20 | 0.50 |
| ▸ | PLG | P00747 | 1/20 | 0.50 |
| ▸ | F12 | P00748 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.50 |
| ▸ | PLAT | P00750 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10397588 | 1.00 | TP53 (0.64) | TP53TSHRPLA2G4BRARBKMT2A | |
| SCHEMBL167685 | 1.00 | TP53 (0.64) | TP53TSHRPLA2G4BRARBKMT2A | |
| SCHEMBL7776497 | 1.00 | TP53 (0.64) | TP53TSHRPLA2G4BRARBKMT2A | |
| SCHEMBL8587464 | 1.00 | TP53 (0.64) | TP53TSHRPLA2G4BRARBKMT2A | |
| SCHEMBL7777446 | 1.00 | TP53 (0.64) | TP53TSHRPLA2G4BRARBKMT2A | |
| SCHEMBL622925 | 1.00 | TP53 (0.64) | TP53TSHRPLA2G4BRARBKMT2A | |
| SCHEMBL1615177 | 1.00 | TP53 (0.64) | TP53TSHRPLA2G4BRARBKMT2A | |
| SCHEMBL2255418 | 1.00 | TP53 (0.64) | TP53TSHRPLA2G4BRARBKMT2A | |
| SCHEMBL5705967 | 0.98 | TP53 (0.62) | TP53TSHRPLA2G4BRARBKMT2A | |
| Hydrochloric Acid SCHEMBL8861908 | 0.98 | TP53 (0.62) | TP53TSHRPLA2G4BRARBKMT2A |
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 |