Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.53 |
| ▸ | CFD | P00746 | 1/20 | 0.51 |
| ▸ | JUN | P05412 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LDHA | P00338 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | VCP | P55072 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20734904 | 0.93 | PTGS1 (0.57) | PTGS1TSHRNR3C1CFDTNFSF11 | |
| SCHEMBL7658382 | 0.91 | CFD (0.56) | PTGS1TSHRCFDALDH1A1CYP4F2 | |
| SCHEMBL5133639 | 0.85 | PTGS1 (0.68) | PTGS1TSHRNR3C1CFDJUN | |
| SCHEMBL101653 | 0.85 | PTGS1 (0.68) | PTGS1TSHRNR3C1CFDJUN | |
| SCHEMBL20117542 | 0.83 | PTGS1 (0.66) | PTGS1TSHRNR3C1CFDJUN | |
| SCHEMBL8779397 | 0.83 | PTGS1 (0.66) | PTGS1TSHRNR3C1CFDJUN | |
| SCHEMBL2357109 | 0.82 | PTGS1 (0.64) | PTGS1TSHRNR3C1JUNNFKB1 | |
| SCHEMBL2729631 | 0.82 | PTGS1 (0.64) | PTGS1TSHRNR3C1CFDJUN | |
| SCHEMBL357406 | 0.82 | PTGS1 (0.64) | PTGS1TSHRNR3C1JUNNFKB1 | |
| SCHEMBL29559892 | 0.82 | CA2 (0.68) | POLBALDH1A1LDHACA2 |
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 8 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 |
| US-6274757-B1 | REACTING AN HYDROXY AMINE CORRESPONDING COMPOUND WITH DICHLORO COMPOUND | NEWLAXANT LLC | 2001-08-14 | — | — | US | disclosed |
| CN-1280578-A | Bis-quaternary ammonium derivatives as neuromuscular relaxants | NEWLAKSONT CO LTD (US) | 2001-01-17 | — | — | CN | disclosed |
| EP-1025099-A1 | BIS-QUATERNARY AMMONIUM DERIVATIVES AS NEUROMUSCULAR RELAXANTS | Gyermek, Laszlo (US) | 2000-08-09 | — | — | EP | disclosed |
| US-5990124-A | ALKOXY AND/OR ACYLOXY DI- AND POLY-SUBSTITUTED ARALKYL AND ARALKENYL BIS-QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS; SUCH AS BIS(N-(4-ACETOXY-3-METHOXYBENZYL) TROPANIUM-3-YL)-3,6-ENDOMETHYLENE-1,2,3,6-TETRAHYDROPHTHALATE | GYERMEK LASZLO (US) | 1999-11-23 | — | — | US | disclosed |
| WO-1999021854-A1 | BIS-QUATERNARY AMMONIUM DERIVATIVES AS NEUROMUSCULAR RELAXANTS | NEWLAXANT LLC (US) | 1999-05-06 | — | — | WO | disclosed |
| EP-0319316-A2 | Griseolic acid monoesters, their preparation and use | SANKYO COMPANY LIMITED (JP) | 1989-06-07 | — | — | EP | disclosed |