Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Tributylmethylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 6/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CES2 | O00748 | 5/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.39 |
| ▸ | LSS | P48449 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Tributylmethylammonium SCHEMBL9790243 | 0.98 | BBOX1 (0.48) | BBOX1CES1CA1CES2SLC22A1 | |
| Tetrabuthylammonium SCHEMBL9790242 | 0.93 | SLC22A1 (0.52) | BBOX1CES1CES2SLC22A1DNM1 | |
| Acetic Acid SCHEMBL5574989 | 0.93 | BBOX1 (0.48) | BBOX1CES1CES2SLC22A1DNM1 | |
| Tributylmethylammonium SCHEMBL4357063 | 0.92 | BBOX1 (0.52) | BBOX1CES1CA1CES2SLC22A1 | |
| Acetic Acid SCHEMBL2204892 | 0.91 | LSS (0.50) | BBOX1CES1CES2SLC22A1DNM1 | |
| Acetic Acid SCHEMBL11125571 | 0.91 | LSS (0.50) | BBOX1CES1CES2SLC22A1DNM1 | |
| Acetic Acid SCHEMBL5574393 | 0.91 | LSS (0.50) | BBOX1CES1CES2SLC22A1DNM1 | |
| Acetic Acid SCHEMBL8378663 | 0.91 | LSS (0.50) | BBOX1CES1CES2SLC22A1DNM1 | |
| Acetic Acid SCHEMBL5573581 | 0.91 | LSS (0.50) | BBOX1CES1CES2SLC22A1DNM1 | |
| Acetic Acid SCHEMBL5574285 | 0.91 | LSS (0.50) | BBOX1CES1CES2SLC22A1DNM1 |
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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117142922-A | Method for reducing ethyl acetate content in recovered ethanol | 安徽国星生物化学有限公司 | 2023-12-01 | — | — | CN | claimed |
| CN-103328483-B | Process for preparing dithiine tetracarboximides | 拜耳知识产权有限责任公司 | 2016-09-14 | — | — | CN | claimed |
| EP-1669383-B1 | CATALYST COMPOSITION FOR PRODUCTION OF RIGID POLYURETHANE FOAM AND ISOCYANURATE-MODIFIED RIGID POLYURETHANE FOAM AND RAW-MATERIAL COMPOSITION CONTAINING THE SAME | TOSOH CORP (JP) | 2014-11-12 | — | — | EP | claimed |
| US-8779018-B2 | Catalyst composition for production of rigid polyurethane foam and isocyanurate-modified rigid polyurethane foam and raw-material composition containing the same | TOSOH CORPORATION (JP) | 2014-07-15 | — | — | US | claimed |
| CN-103874703-A | Method for preparing dithiine tetracarboxydiimides | BAYER IP GMBH | 2014-06-18 | — | — | CN | claimed |
| US-8575245-B2 | Tunable polymer compositions | NOVOMER, INC. (US) | 2013-11-05 | — | — | US | claimed |
| CN-103328483-A | Process for preparing dithiine tetracarboximides | BAYER IP GMBH | 2013-09-25 | — | — | CN | claimed |
| EP-2050775-B1 | CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN | TOSOH CORP (JP) | 2013-08-14 | — | — | EP | claimed |
| US-20120035289-A1 | CATALYST COMPOSITION FOR PRODUCTION OF RIGID POLYURETHANE FOAM AND ISOCYANURATE-MODIFIED RIGID POLYURETHANE FOAM AND RAW-MATERIAL COMPOSITION CONTAINING THE SAME | TOSOH CORPORATION (JP) | 2012-02-09 | — | — | US | claimed |
| US-20110257296-A1 | TUNABLE POLYMER COMPOSITIONS | NOVOMER, INC. (US) | 2011-10-20 | — | — | US | claimed |
| WO-2010075232-A1 | TUNABLE POLYMER COMPOSITIONS | NOVOMER, INC. (US) | 2010-07-01 | — | — | WO | claimed |
| US-20100130629-A1 | CATALYST COMPOSITION FOR PRODUCTION OF POLYURETHANE RESIN AND METHOD FOR PRODUCING POLYURETHANE RESIN (AS AMENDED) | TOSOH CORPORATION (JP) | 2010-05-27 | — | — | US | claimed |
| CN-100532367-C | High stack-density sheet structural melamine cyanurate and production method and application for flame-resistant material | HANGZHOU JLS FLAME RETARDANTS (CN) | 2009-08-26 | — | — | CN | claimed |
| EP-2050775-A1 | CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN | Tosoh Corporation (JP) | 2009-04-22 | — | — | EP | claimed |
| CN-101037417-A | High stack-density sheet structural melamine cyanurate and production method and application for flame-resistant material | HANGZHOU JLS FLAME RETARDANTS (CN) | 2007-09-19 | — | — | CN | claimed |
| US-20070112085-A1 | Catalyst composition for production of rigid polyurethane foam and isocyanurate-modified rigid polysurethane foam and raw-material composition containing the same | TOSOH CORPORATION (JP) | 2007-05-17 | — | — | US | claimed |
| EP-1669383-A1 | CATALYST COMPOSITION FOR PRODUCTION OF RIGID POLYURETHANE FOAM AND ISOCYANURATE-MODIFIED RIGID POLYURETHANE FOAM AND RAW-MATERIAL COMPOSITION CONTAINING THE SAME | Tosoh Corporation (JP) | 2006-06-14 | — | — | EP | claimed |
| JP-8245493-A | — | — | None | — | — | JP | disclosed |
| US-4940760-A | ATTACHED TO SOLID SUPPORT THAT IS INSOLUBLE IN REACTION MEDIUM; ORGANO-SILICON,-GERMANIUM OR-TIN COMPOUND | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-07-10 | — | — | US | disclosed |
| US-4613702-A | NEUTRALIZATION | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1986-09-23 | — | — | US | disclosed |