Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzododecinium. 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 | |
|---|---|---|---|---|
| ▸ | MC4R known ✓ | P32245 | 1/20 | 0.55 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.47 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.47 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.47 |
| ▸ | AVPR2 known ✓ | P30518 | 1/20 | 0.47 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.47 |
| ▸ | AVPR1A known ✓ | P37288 | 1/20 | 0.47 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.47 |
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.47 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.79 |
| ▸ | MEN1 | O00255 | 3/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.77 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.77 |
| ▸ | TP53 | P04637 | 1/20 | 0.77 |
| ▸ | HTT | P42858 | 3/20 | 0.74 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11743334 | 1.00 | DNM1 (0.79) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Miristalkonium Ion SCHEMBL4328255 | 1.00 | DNM1 (0.79) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Cetalkonium SCHEMBL8162832 | 1.00 | DNM1 (0.79) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Acetic Acid SCHEMBL11748087 | 1.00 | DNM1 (0.79) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Cetalkonium SCHEMBL8163175 | 0.98 | MEN1 (0.79) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Cetalkonium SCHEMBL27585255 | 0.97 | DNM1 (0.74) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Benzododecinium SCHEMBL28637938 | 0.95 | DNM1 (0.81) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Cetalkonium SCHEMBL8168586 | 0.95 | DNM1 (0.81) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Benzododecinium SCHEMBL8164470 | 0.95 | DNM1 (0.81) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Benzododecinium SCHEMBL17435029 | 0.94 | DNM1 (0.70) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111154552-A | Diamond surface cleaning solution and application thereof | 中国科学院宁波材料技术与工程研究所 | 2020-05-15 | — | — | CN | claimed |
| CN-102102008-B | Water-based glass grinding fluid and using method thereof | ANJI MICROELECTRONICS SHANGHAI | 2014-07-23 | — | — | CN | claimed |
| CN-102102008-A | Water-based glass grinding fluid and using method thereof | ANJI MICROELECTRONICS SHANGHAI | 2011-06-22 | — | — | CN | claimed |
| CN-111154552-A | Diamond surface cleaning solution and application thereof | 中国科学院宁波材料技术与工程研究所 | 2020-05-15 | — | — | CN | disclosed |
| CN-102102008-B | Water-based glass grinding fluid and using method thereof | ANJI MICROELECTRONICS SHANGHAI | 2014-07-23 | — | — | CN | disclosed |
| CN-102102008-A | Water-based glass grinding fluid and using method thereof | ANJI MICROELECTRONICS SHANGHAI | 2011-06-22 | — | — | CN | disclosed |
| US-7615592-B2 | Process for producing water- and oil-repellent agent | UNIMATEC CO., LTD (JP) | 2009-11-10 | — | — | US | disclosed |
| US-20080071025-A1 | Process for Producing Water- and Oil-Repellent Agent | UNIMATEC CO., LTD. (JP) | 2008-03-20 | — | — | US | disclosed |
| EP-1770146-A1 | METHOD FOR PRODUCING WATER-AND-OIL REPELLENT AGENT | Unimatec Co., Ltd. (JP) | 2007-04-04 | — | — | EP | disclosed |
| US-6087303-A | METAL-FREE WOOD PRESERVATIVE CONSISTS OF A BIOCIDE CONTAINING DIMETHYL-DI-C8-C12 ALKYLAMMONIUM CARBOXYLATE OR BORATE AND AN AQUEOUS SOLVENT | LONZA, INC. (US) | 2000-07-11 | — | — | US | disclosed |
| US-5891921-A | WOOD PRESERVATIVE SYSTEMS COMPRISING BIOCIDAL EFFECTIVE AMOUNT OF QUATERNARY AMMONIUM CARBOXYLATE, ALKYL QUATERNARY AMMONIUM BORATE, AND SOLVENT | LONZA INC. (US) | 1999-04-06 | — | — | US | disclosed |
| US-5700841-A | WOOD PRESERVATIVES | LONZA INC. (US) | 1997-12-23 | — | — | US | disclosed |
| US-5641726-A | WOOD PRESERVATIVES | LONZA, INC. (US) | 1997-06-24 | — | — | US | disclosed |
| US-5173110-A | Curable coating of an epoxy resin, a hardener and an encapsulated algicide containing a quaternary ammonium compound which can be leached from concentration during submersion | WAITOMO INDUSTRIAL INVESTMENTS LTD. (CA) | 1992-12-22 | — | — | US | disclosed |