Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.77 |
| ▸ | PPARD | Q03181 | 1/20 | 0.77 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.77 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | ZDHHC7 | Q9NXF8 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GSR | P00390 | 1/20 | 0.37 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.37 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9621074 | 1.00 | LCK (0.77) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL22826569 | 1.00 | LCK (0.77) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL688574 | 1.00 | LCK (0.77) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL689503 | 1.00 | LCK (0.77) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL689632 | 1.00 | LCK (0.77) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL1449604 | 0.97 | LCK (0.73) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL2122342 | 0.91 | LCK (0.65) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL29196173 | 0.90 | LCK (0.65) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL22814782 | 0.90 | LCK (0.65) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL10736739 | 0.90 | LCK (0.65) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6376510-B1 | ADMINISTERING A ALKOXY- AND ACYLOXY-SUBSTITUTED ARALKYL AND ARALKENYL BIS QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS TO A HUMAN AS MUSCLE RELAXANTS | NEWLAXANT LLC | 2002-04-23 | — | — | US | disclosed |
| US-6274623-B1 | DI- OR POLY-ALKOXY-OR ACYLOXY-SUBSTITUTED ARALKYL AND ARAKENYL QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC AMINOALKANOL DIESTERS SUCH AS BIS(N-(3,4-DIPROPIONYLOXY-BENZYL)GRANATANINIUM-3-ALPHA-YL)ADIPATE DIBROMIDE | NEWLAXANT LLC | 2001-08-14 | — | — | US | disclosed |