Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Morpholine. 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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NT5E | P21589 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | ACR | P10323 | 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 | |
|---|---|---|---|---|
| Morpholine SCHEMBL890524 | 0.92 | L3MBTL1 (0.43) | L3MBTL1ALDH1A1LMNAMAPTTDP1 | |
| Oxazolidine SCHEMBL10370071 | 0.83 | LMNA (0.41) | L3MBTL1ALDH1A1LMNAMAPTTDP1 | |
| Acetonitrile SCHEMBL27393612 | 0.82 | CYP2D6 (0.50) | L3MBTL1ALDH1A1LMNAMAPTHTT | |
| Aziridine SCHEMBL5185484 | 0.82 | ALDH1A1 (0.50) | L3MBTL1ALDH1A1LMNAMAPTTDP1 | |
| Acetonitrile SCHEMBL17474635 | 0.82 | ALDH1A1 (0.52) | L3MBTL1ALDH1A1LMNAMAPTTDP1 | |
| Acetonitrile SCHEMBL318491 | 0.82 | ALDH1A1 (0.52) | L3MBTL1ALDH1A1LMNAMAPTTDP1 | |
| Acetonitrile SCHEMBL29256909 | 0.82 | ALDH1A1 (0.52) | L3MBTL1ALDH1A1LMNAMAPTTDP1 | |
| Dioxane SCHEMBL11309706 | 0.81 | L3MBTL1 (0.49) | L3MBTL1ALDH1A1LMNAMAPTTDP1 | |
| Acetonitrile SCHEMBL28546118 | 0.81 | ALDH1A1 (0.50) | L3MBTL1ALDH1A1LMNAMAPTTDP1 | |
| Acetonitrile SCHEMBL9780143 | 0.81 | ALDH1A1 (0.50) | L3MBTL1ALDH1A1LMNAMAPTTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6764613-B2 | FOR USE IN BLEACHING AND CLEANING | MID-AMERICA COMMERCIALIZATION CORPORATION | 2004-07-20 | — | — | US | disclosed |
| EP-1036070-B1 | N-ALKYL AMMONIUM ACETONITRILE SALTS, METHODS THEREFOR AND COMPOSITIONS THEREWITH | CLOROX CO (US) | 2004-02-18 | — | — | EP | disclosed |
| US-20030080319-A1 | N-alkyl ammonium acetonitrile salts, methods therefor and compositions therewith | THE CLOROX COMPANY | 2003-05-01 | — | — | US | disclosed |
| EP-0944609-B1 | PROCESS FOR PREPARING N-ALKYL AMMONIUM ACETONITRILE COMPOUNDS | CLOROX CO (US) | 2003-04-02 | — | — | EP | disclosed |
| EP-0951438-A4 | GRANULAR N-ALKYL AMMONIUM ACETONITRILE COMPOSITIONS | CLOROX CO (US) | 2002-08-14 | — | — | EP | disclosed |
| EP-0948455-A4 | MIXED PEROXYGEN ACTIVATOR COMPOSITIONS | CLOROX CO (US) | 2002-03-13 | — | — | EP | disclosed |
| US-6235218-B1 | REACTING HETEROCYCLIC AMINE WITH MONOALDEHYDE OR DIALDEHYDE AND HYDROGEN CYANIDE OR ALKALI METAL CYANIDE IN AQUEOUS MEDIUM, QUATERNIZING AMINE WITH ALKYLATING AGENT AT PH CONTROLLED TO PREVENT FORMATION OF PROTONATED INTERMEDIATE | THE CLOROX COMPANY | 2001-05-22 | — | — | US | disclosed |
| US-6183665-B1 | BLEACHING | THE CLOROX COMPANY | 2001-02-06 | — | — | US | disclosed |
| EP-0951438-A1 | GRANULAR N-ALKYL AMMONIUM ACETONITRILE COMPOSITIONS | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-27 | — | — | EP | disclosed |
| EP-0948455-A1 | MIXED PEROXYGEN ACTIVATOR COMPOSITIONS | The Clorox Company (US) | 1999-10-13 | — | — | EP | disclosed |
| US-5888419-A | BLEACHING, LAUNDERING COMPOUNDS | THE CLOROX COMPANY (US) | 1999-03-30 | — | — | US | disclosed |
| US-5814242-A | HETEROCYCLIC CATIONIC SPECIES | THE CLOROX COMPANY (US) | 1998-09-29 | — | — | US | disclosed |
| WO-1998023534-A1 | MIXED PEROXYGEN ACTIVATOR COMPOSITIONS | THE CLOROX COMPANY (US) | 1998-06-04 | — | — | WO | disclosed |
| WO-1998023531-A1 | GRANULAR N-ALKYL AMMONIUM ACETONITRILE COMPOSITIONS | THE CLOROX COMPANY (US) | 1998-06-04 | — | — | WO | disclosed |