Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Diethylamine. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.55 |
| ▸ | SNCA | P37840 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Propane SCHEMBL3563886 | 0.87 | GAA (0.54) | ALDH1A1SNCACA1CA2MMP1 | |
| Propane SCHEMBL28408609 | 0.87 | GAA (0.54) | ALDH1A1SNCACA1CA2MMP1 | |
| SCHEMBL8616624 | 0.86 | ALDH1A1 (0.46) | ALDH1A1SNCACA1CA2MMP1 | |
| SCHEMBL2952900 | 0.85 | GAA (0.52) | ALDH1A1SNCACA1CA2MMP1 | |
| Alcohol SCHEMBL282126 | 0.85 | GAA (0.52) | ALDH1A1SNCACA1CA2MMP1 | |
| Butane SCHEMBL27630383 | 0.85 | GAA (0.52) | ALDH1A1SNCACA1CA2MMP1 | |
| SCHEMBL2277355 | 0.85 | CA1 (0.58) | ALDH1A1SNCACA1CA2MMP1 | |
| SCHEMBL344976 | 0.85 | CA1 (0.58) | ALDH1A1SNCACA1CA2MMP1 | |
| SCHEMBL34 | 0.85 | GAA (0.62) | ALDH1A1SNCACA1CA2MMP1 | |
| SCHEMBL31313 | 0.85 | GAA (0.62) | ALDH1A1SNCACA1CA2MMP1 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4189141-A1 | CYCLIC COMPOUNDS AS AROMA CHEMICALS | BASF SE (DE) | 2023-06-07 | — | — | EP | disclosed |
| US-20160250722-A1 | HIGH-CONCENTRATION FLUX FOR BEING SPRAYED ON PREFORM | GUANGZHOU SOLDERWELL ADVANCED MATERIALS CO., LTD. (CN) | 2016-09-01 | — | — | US | disclosed |
| US-8629287-B2 | Process for the sulfinylation of a pyrazole derivative | BASF SE (DE) | 2014-01-14 | — | — | US | disclosed |
| EP-2081908-B1 | PROCESS FOR THE SULFINYLATION OF A PYRAZOLE DERIVATIVE | BASF AGRO B V ARNHEM NL ZUERICH BRANCH (CH) | 2013-04-24 | — | — | EP | disclosed |
| EP-2081909-B1 | PROCESS FOR THE SULFINYLATION OF A PYRAZOLE DERIVATIVE | BASF SE (DE) | 2013-01-09 | — | — | EP | disclosed |
| US-20120309806-A1 | Process for the Sulfinylation of a Pyrazole Derivative | BASF SE (DE) | 2012-12-06 | — | — | US | disclosed |
| CN-102746234-A | Process for the sulfinylation of a pyrazole derivative | BASF SE | 2012-10-24 | — | — | CN | disclosed |
| CN-102746233-A | Process for the sulfinylation of a pyrazole derivative | BASF SE | 2012-10-24 | — | — | CN | disclosed |
| US-8293803-B2 | Retinoid compounds and their use | REINNERVATE LIMITED (GB) | 2012-10-23 | — | — | US | disclosed |
| US-8263783-B2 | Process for the sulfinylation of a pyrazole derivative | BASF SE (DE) | 2012-09-11 | — | — | US | disclosed |
| WO-2008055879-A1 | PROCESS FOR THE SULFINYLATION OF A PYRAZOLE DERIVATIVE | BASF SE (DE) | 2008-05-15 | — | — | WO | disclosed |
| WO-2008055877-A1 | PROCESS FOR THE SULFINYLATION OF A PYRAZOLE DERIVATIVE | BASF SE (DE) | 2008-05-15 | — | — | WO | disclosed |
| US-7128976-B2 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2006-10-31 | — | — | US | disclosed |
| EP-0736574-B1 | Thermoplastic resin composition comprising carbonate and acrylic resin | GEN ELECTRIC (US) | 2004-06-02 | — | — | EP | disclosed |
| US-20030091838-A1 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2003-05-15 | — | — | US | disclosed |
| US-6103827-A | A TRANSPARENT THERMOPLASTIC RESIN BLENDS | GENERAL ELECTRIC COMPANY (US) | 2000-08-15 | — | — | US | disclosed |
| US-5883194-A | RADIATION TRANSPARENT THERMOPLASTIC RESINS OF CARBONATE AND ESTER BLENDS WITH ACRYLATE RESINS AND CATALYSTS | GENERAL ELECTRIC COMPANY (US) | 1999-03-16 | — | — | US | disclosed |
| EP-0736574-A2 | Thermoplastic resin composition comprising carbonate and acrylic resin | GENERAL ELECTRIC COMPANY (US) | 1996-10-09 | — | — | EP | disclosed |
| EP-0276329-A1 | 2,3-DIAMINOACRYLONITRILE DERIVATIVES. | NIPPON SODA CO (JP) | 1988-08-03 | — | — | EP | disclosed |
| WO-1988001264-A1 | 2,3-DIAMINOACRYLONITRILE DERIVATIVES | NIPPON SODA CO., LTD. (JP) | 1988-02-25 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120309806-A1 | Process for the Sulfinylation of a Pyrazole Derivative | STS, SULT1A1, SULT2A1 | ALDH1A1 322/4885SNCA 1601/4885CA1 16/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.