Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.38 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.38 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.35 |
| ▸ | P2RY12 known ✓ | Q9H244 | 1/20 | 0.33 |
| ▸ | DUSP5 | Q16690 | 3/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | PKLR | P30613 | 3/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL452424 | 0.91 | DUSP5 (0.50) | DUSP5NR4A1PKLRCDK2ADAMTS4 | |
| SCHEMBL11199053 | 0.91 | DUSP5 (0.50) | DUSP5NR4A1PKLRCDK2ADAMTS4 | |
| SCHEMBL9805973 | 0.87 | PTGS1 (0.48) | DUSP5NR4A1PKLRCDK2ADAMTS4 | |
| SCHEMBL9509844 | 0.87 | NR4A1 (0.50) | DUSP5NR4A1PKLRCDK2ADAMTS4 | |
| Lithium Ion SCHEMBL29083050 | 0.87 | DUSP5 (0.46) | DUSP5NR4A1PKLRCDK2ADAMTS4 | |
| Potassium Ion SCHEMBL5191230 | 0.87 | NR4A1 (0.50) | DUSP5NR4A1PKLRCDK2ADAMTS4 | |
| Water SCHEMBL28391333 | 0.85 | PTGS1 (0.47) | DUSP5NR4A1PKLRCDK2ADAMTS4 | |
| SCHEMBL7784950 | 0.80 | DUSP5 (0.50) | DUSP5NR4A1PKLRCDK2TDP1 | |
| SCHEMBL29241949 | 0.75 | PKLR (0.51) | DUSP5NR4A1PKLRCDK2ADAMTS4 | |
| Phenolsulphonic Acid SCHEMBL3700204 | 0.74 | PTGS1 (0.52) | DUSP5NR4A1PKLRCDK2ALDH1A1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6156710-A | Rinse added fabric softening compositions and method of use for the delivery of fragrance precursors | THE PROCTER & GAMBLE COMPANY (US) | 2000-12-05 | — | — | US | disclosed |
| US-6093691-A | BETA-KETOESTER PROFRAGRANCES SUCH AS 3,7-DIMETHYL-1,6-OCTADIEN-3-YL 2-(BETA-NAPHTHY)-3-OXO-PROPIONATE, AND FABRIC SOFTENING INGREDIENTS SUCH AS CATIONIC FABRIC SOFTENERS, STABILIZERS | THE PROCTER & GAMBLE COMPANY (US) | 2000-07-25 | — | — | US | disclosed |
| US-6083899-A | Fabric softeners having increased performance | THE PROCTER & GAMBLE COMPANY (US) | 2000-07-04 | — | — | US | disclosed |
| US-6037315-A | QUATERNARY AMMONIUM SALT COMPRISING MIXTURE OF MONO-, DI- AND TRI-ESTER COMPONENTS; USED AS A FABRIC SOFTENER AND AS A HAIR AND SKIN CONDITIONER | AKZO NOBEL NV (NL) | 2000-03-14 | — | — | US | disclosed |
| US-5977055-A | CONTAINING FATTY ACYL GROUPS | THE PROCTER & GAMBLE COMPANY (US) | 1999-11-02 | — | — | US | disclosed |
| US-5877145-A | BIODEGRADABLE | THE PROCTER & GAMBLE COMPANY (US) | 1999-03-02 | — | — | US | disclosed |
| US-5861370-A | DIESTER QUATERNARY AMMONIUM COMPOUND, PERFUME, LOW MOLECULAR WEIGHT ALCOHOL, ORGANINC SOLVENT AND DISPERSING AID | THE PROCTER & GAMBLE COMPANY (US) | 1999-01-19 | — | — | US | disclosed |
| US-5830845-A | BIODEGRADABLE; QUATERNARY AMMONIUM COMPOUND | THE PROCTER & GAMBLE COMPANY (US) | 1998-11-03 | — | — | US | disclosed |
| US-5759990-A | BIODEGRADABLE | THE PROCTER & GAMBLE COMPANY (US) | 1998-06-02 | — | — | US | disclosed |
| US-5747443-A | BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 1998-05-05 | — | — | US | disclosed |
| US-5668102-A | SOLID OR LIQUID COMPOSITION CONTAINING CATIONIC QUATERNARY AMMONIUM FABRIC SOFTENING COMPOUND, NONIONIC OR ANIONIC ESTER OF NON-ALLYLIC ALCOHOL PERFUME | THE PROCTER & GAMBLE COMPANY (US) | 1997-09-16 | — | — | US | disclosed |
| US-5574179-A | Concentrated biodegradable quaternary ammonium fabric softener compositions and compouds containing intermediate iodine value unsaturated fatty acid chains | THE PROCTER & GAMBLE COMPANY (US) | 1996-11-12 | — | — | US | disclosed |
| US-5562849-A | INJECTING PREMIX CONTAINING BIODEGRADABLE QUATERNARY AMMONIUM FABRIC SOFTENER AND LOW MOLECULAR WEIGHT ALCOHOL INTO HEATED ACIDIC WATER, MIXING, MILLING, ADDING CALCIUM CHLORIDE IN INCREMENTS, ADDING PERFUME, COOLING | THE PROCTER & GAMBLE COMPANY (US) | 1996-10-08 | — | — | US | disclosed |
| US-5545340-A | Concentrated biodegradable quaternary ammonium fabric softener compositions and compounds containing intermediate iodine value unsaturated fatty acid chains | THE PROCTER & GAMBLE COMPANY (US) | 1996-08-13 | — | — | US | disclosed |
| US-5531910-A | DIESTERS WITH NON-ALLYLIC ALCOHOL PERFUMES, CATIONIC SURFACTANT | THE PROCTER & GAMBLE COMPANY (US) | 1996-07-02 | — | — | US | disclosed |
| US-5500138-A | QUATERNARY AMMONIUM COMPOUND, LONG LASTING PERFUME, BETTER DEPOSITION ON FABRICS | THE PROCTER & GAMBLE COMPANY (US) | 1996-03-19 | — | — | US | disclosed |
| US-5474690-A | Storage stability, viscosity stability | THE PROCTER & GAMBLE COMPANY (US) | 1995-12-12 | — | — | US | disclosed |
| US-5427697-A | An imidazoline, imidazolinium, and or a di(2-amidoethyl)methyl quaternary ammonium compound | THE PROCTER & GAMBLE COMPANY (US) | 1995-06-27 | — | — | US | disclosed |
| US-5399272-A | Clear or translucent, concentrated biodgradable quaternary ammonium fabric softener compositions | THE PROCTER & GAMBLE COMPANY (US) | 1995-03-21 | — | — | US | disclosed |