Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | PTPRG | P23470 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | IGF1R | P08069 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4444493 | 0.79 | CYP1A2 (0.46) | TDP1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL20570318 | 0.79 | PNMT (0.42) | TDP1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL2298160 | 0.79 | TDP1 (0.39) | TDP1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL29410058 | 0.79 | TDP1 (0.39) | TDP1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL2294256 | 0.79 | PNMT (0.42) | TDP1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL3357562 | 0.79 | TRPA1 (0.39) | PTPRCPTPRGCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30516101 | 0.79 | TRPA1 (0.39) | PTPRCPTPRGCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2858820 | 0.78 | PTPRC (0.33) | PTPRCPTPRGTAAR1HTR2AKDM4E | |
| SCHEMBL5705931 | 0.78 | TAAR1 (0.56) | TDP1CYP1A2CYP2D6CYP2C19TAAR1 | |
| SCHEMBL21677170 | 0.78 | CNR1 (0.48) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4643807-A | Process for electrochemically forming an aromatic compound containing one or more alpha-acyloxylated aliphatic substitutent(s) | THE DOW CHEMICAL COMPANY (US) | 1987-02-17 | — | — | US | claimed |
| 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 |
| 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 |
| US-4643807-A | Process for electrochemically forming an aromatic compound containing one or more alpha-acyloxylated aliphatic substitutent(s) | THE DOW CHEMICAL COMPANY (US) | 1987-02-17 | — | — | US | disclosed |
| US-4633026-A | DEHYDROHALOGENATION OF RING-HALOGENATED ALPHA- OR BETA-BROMOETHYL BENZENES WITH STRONG BASE, POLYOXYETHYLENE GLYCOL CATALYST, AMINE POLYMERIZATION INHIBITOR | ETHYL CORPORATION (US) | 1986-12-30 | — | — | US | disclosed |
| US-4292453-A | REACTION OF A HALO DERIVATIVE OF BETA-BROMOETHYLBENZENE WITH AQUEOUS ALKALI AND A QUATERNARY PHASE TRANSFER CATALYST | MAKHTESHIM CHEMICAL WORKS LTD. (IL) | 1981-09-29 | — | — | US | disclosed |